(4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C24H21NO3 — CID 70066495

IUPAC(4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H21NO3/c1-2-17(21-13-12-18-8-6-7-11-20(18)14-21)15-23(26)25-22(16-28-24(25)27)19-9-4-3-5-10-19/h2-14,17,22H,1,15-16H2/t17-,22+/m0/s1
InChIKeyYQTNBXXTKLNORR-HTAPYJJXSA-N
MW371.44 g/mol
LogP5.22
Rot. Bonds5

About (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 70066495) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID70066495
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H21NO3/c1-2-17(21-13-12-18-8-6-7-11-20(18)14-21)15-23(26)25-22(16-28-24(25)27)19-9-4-3-5-10-19/h2-14,17,22H,1,15-16H2/t17-,22+/m0/s1
InChIKeyYQTNBXXTKLNORR-HTAPYJJXSA-N
XLogP5.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-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)-4-phenyl-3-(3-phenylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 15314139
(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15314141
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864
(4S)-3-[(3R)-4-methyl-3-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163564616
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 174188865
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
(4S)-3-[(3R)-3-hydroxy-2,2-dimethylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134277901
(4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 97102609
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
(3R,4S)-4-methyl-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]hept-6-enoic acid
CID 146545185

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 70066495) is (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is C=C[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YQTNBXXTKLNORR-HTAPYJJXSA-N. The full InChI is InChI=1S/C24H21NO3/c1-2-17(21-13-12-18-8-6-7-11-20(18)14-21)15-23(26)25-22(16-28-24(25)27)19-9-4-3-5-10-19/h2-14,17,22H,1,15-16H2/t17-,22+/m0/s1.
What are the key properties of (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 371.44 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70066495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).