CAS 163849-08-9 (5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one (HCID 11094992)

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Basic information

CAS: 163849-08-9
Standard SMILES: Cc1cc([C@@H]2CCC(=O)N2)on1
InChIKey: ACJNGHUXJVMXRT-LURJTMIESA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol

Names & identifiers

Preferred name: (5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one
IUPAC: (5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one
English name: 2-Pyrrolidinone,5-(3-methyl-5-isoxazolyl)-,(S)-(9CI)
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

163849-08-9(5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-oneRefChem:404470864-281-9(S)-5-(3-Methylisoxazol-5-yl)pyrrolidin-2-one2-Pyrrolidinone,5-(3-methyl-5-isoxazolyl)-,(S)-(9CI)SCHEMBL7814215ACJNGHUXJVMXRT-LURJTMIESA-N5(S)-(3-methyl-5-isoxazolyl)-2-pyrrolidinone5(S)-(3 -methyl-5-isoxazolyl)-2-pyrrolidinoneEN300-7818692

Database identifiers

CAS: 163849-08-9
PubChem CID: 11094992
EC Number: 864-281-9

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P