(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one

C12H15NO3 — CID 10933011

IUPAC(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CC[C@H]2COC(=O)N2)cc1
InChIInChI=1S/C12H15NO3/c1-15-11-6-3-9(4-7-11)2-5-10-8-16-12(14)13-10/h3-4,6-7,10H,2,5,8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyJWJSYTVWYFGIOC-JTQLQIEISA-N
MW221.26 g/mol
LogP1.74
Rot. Bonds4

About (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one

(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 10933011) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID10933011
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CC[C@H]2COC(=O)N2)cc1
InChIInChI=1S/C12H15NO3/c1-15-11-6-3-9(4-7-11)2-5-10-8-16-12(14)13-10/h3-4,6-7,10H,2,5,8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyJWJSYTVWYFGIOC-JTQLQIEISA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cytoxazone
CID 10082313
Cyclohexyl-carbamic acid 3-pentyl-phenyl ester
CID 11140803
5-[(2-Methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 2883881
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
Cyclohexyl-carbamic acid m-tolyl ester
CID 306692
Butyl-carbamic acid 2-m-tolyloxycarbonylamino-ethyl ester
CID 3115334
Ethyl [2-(4-methoxyphenyl)ethyl]carbamate
CID 887923
Cyclohexyl-carbamic acid biphenyl-4-yl ester
CID 3466744
4-Methylphenyl cyclohexylcarbamate
CID 4146128
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
Ethyl-carbamic acid p-tolyl ester
CID 3701964
N-[1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 541955

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one (CID 10933011) is (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one is COc1ccc(CC[C@H]2COC(=O)N2)cc1.
What is the InChIKey of (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is JWJSYTVWYFGIOC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-11-6-3-9(4-7-11)2-5-10-8-16-12(14)13-10/h3-4,6-7,10H,2,5,8H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10933011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).