(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one

C13H17NO2 — CID 134941159

IUPAC(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCCN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-3-9-14-12(10-16-13(14)15)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3/t12-/m1/s1
InChIKeyBWEOXOFDADMNCZ-GFCCVEGCSA-N
MW219.28 g/mol
LogP2.98
Rot. Bonds4

About (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134941159) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134941159
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCCCCN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-3-9-14-12(10-16-13(14)15)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3/t12-/m1/s1
InChIKeyBWEOXOFDADMNCZ-GFCCVEGCSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-3-butyl-4-phenyl-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

(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one
CID 72911799
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
(4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72874900
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887
(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 141303370
(4S)-3-[(2S)-2-[(1R)-1-hydroxyethyl]hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134837890
(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 139115424
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
4-(4-chlorophenyl)-3-(2-methoxyethyl)-1,3-oxazolidin-2-one
CID 68729458
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169

Frequently Asked Questions

What is the IUPAC name of (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one (CID 134941159) is (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one is CCCCN1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BWEOXOFDADMNCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-3-9-14-12(10-16-13(14)15)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134941159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).