(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one

C13H17NO2 — CID 10704100

IUPAC(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)12-9-16-13(15)14(12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyYZNNGFFAJRVQEC-GFCCVEGCSA-N
MW219.28 g/mol
LogP2.66
Rot. Bonds3

About (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10704100) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10704100
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)12-9-16-13(15)14(12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyYZNNGFFAJRVQEC-GFCCVEGCSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-3-benzyl-4-propan-2-yl-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

Encyprate
CID 17298
4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
3-Benzyloxazolidine
CID 319258
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
Fenpipalone
CID 30822
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
3-(Dimethylamino)butyl benzyl(methyl)carbamate
CID 44570008
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10704100) is (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YZNNGFFAJRVQEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)12-9-16-13(15)14(12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10704100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).