CAS 264600-97-7 tert-Butyl 1,2-oxazol-3-ylcarbamate (HCID 21992950)

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Basic information

CAS: 264600-97-7
Standard SMILES: CC(C)(C)OC(=O)Nc1ccon1
InChIKey: IBHBABFDCMKSOA-UHFFFAOYSA-N
Molecular formula: C8H12N2O3
Average molar mass: 184.19 g/mol
Monoisotopic mass: 184.08479224

Names & identifiers

Preferred name: tert-Butyl 1,2-oxazol-3-ylcarbamate
IUPAC: tert-butyl N-(1,2-oxazol-3-yl)carbamate
English name: Carbamic acid, 3-isoxazolyl-, 1,1-dimethylethyl ester (9CI)
Molecular formula: C8H12N2O3
Molecular weight: 184.19

Names & synonyms

264600-97-7DTXSID50621305tert-Butyl 1,2-oxazol-3-ylcarbamateRefChem:383090DTXCID40572059tert-Butyl isoxazol-3-ylcarbamateTERT-BUTYL N-(1,2-OXAZOL-3-YL)CARBAMATEIsoxazol-3-ylcarbamic acid tert-butylesterMFCD111009133-(Boc-amino)isoxazoleCarbamic acid, N-3-isoxazolyl-, 1,1-dimethylethyl estertert-Butylisoxazol-3-ylcarbamate

Show more names

N-3-isoazoleaminomacetic acidtertbutyl ester

Carbamic acid, 3-isoxazolyl-, 1,1-dimethylethyl esterContezolid Impurity 5SCHEMBL445249IBHBABFDCMKSOA-UHFFFAOYSA-N3-(t-Butoxycarbonylamino)isoxazoleCarbamic acid, 3-isoxazolyl-, 1,1-dimethylethyl ester (9CI)3-t-butyloxycarbonylamino-isoxazole3-(t-butoxycarbonyl-amino)isoxazole

Database identifiers

CAS: 264600-97-7
PubChem CID: 21992950
DTXSID: DTXSID50621305
EC Number: 977-611-2

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 188

Physicochemical properties

InChI: InChI=1S/C8H12N2O3/c1-8(2,3)13-7(11)9-6-4-5-12-10-6/h4-5H,1-3H3,(H,9,10,11)
InChIKey: IBHBABFDCMKSOA-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1C=CON=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.