(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'}

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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).