4-Isopropyl-3-propionyl-2-oxazolidinone

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Basic information

CAS: 165657-81-8
Standard SMILES: CCC(=O)N1C(=O)OCC1C(C)C
InChIKey: HOWPHXVPNNPSAZ-UHFFFAOYSA-N
Molecular formula: C9H15NO3
Average molar mass: 185.22 g/mol
Monoisotopic mass: 185.10519334

Overview

structure given in first source; RN given refers to (+-)-isomer

Names & identifiers

Preferred name: 4-Isopropyl-3-propionyl-2-oxazolidinone
IUPAC: 3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
English name: 4-isopropyl-3-propionyl-2-oxazolidinone
Molecular weight: 0

Names & synonyms

165657-81-84-Ipr-3-EtCO-2-oxazolidinone4-Isopropyl-3-propionyl-2-oxazolidinoneRefChem:9126233-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one144154-40-52-oxazolidinone, 4-(1-methylethyl)-3-(1-oxopropyl)-(S)-(+)-4-Isopropyl-3-propionylNSC6200404-isopropyl-3-propanoyl-oxazolidin-2-oneSCHEMBL3627926CHEMBL1992360

Show more names

DTXSID70937117HOWPHXVPNNPSAZ-UHFFFAOYSA-NAKOS025243594NSC-620040LS-13672NCI60_005918DB-3386561-Oxazolidin-2-one, 3-propionyl-4-isopropyl-

Database identifiers

CAS: 165657-81-8
PubChem CID: 190974
DTXSID: DTXSID70937117
ChEMBL: CHEMBL1992360
Nikkaji: J1.959.957D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 225

Related reactions

2 records

New reaction record

HRID 690695As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1122397As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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