OX7

TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE

Created:	2007-05-22
Last modified:	2024-09-27

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1 entries where OX7 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	5

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Chemical Component Summary
Name	TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
Systematic Name (OpenEye OEToolkits)	tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
Formula	C₁₁ H₁₉ N₃ O₃
Molecular Weight	241.287
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
SMILES	CACTVS	3.341	CC(C)[CH](NC(=O)OC(C)(C)C)c1ocnn1
SMILES	OpenEye OEToolkits	1.5.0	CC(C)C(c1nnco1)NC(=O)OC(C)(C)C
Canonical SMILES	CACTVS	3.341	CC(C)[C@H](NC(=O)OC(C)(C)C)c1ocnn1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)[C@@H](c1nnco1)NC(=O)OC(C)(C)C
InChI	InChI	1.03	InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
InChIKey	InChI	1.03	PARUDDGQWSBIIO-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank ID	DB08337
Name	2-Methyl-2-propanyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
Groups	experimental
Synonyms	2-Methyl-2-propanyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase	MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682