(4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C19H17NO3 — CID 66545222

IUPAC(4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(/C=C/C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H17NO3/c1-14-7-9-15(10-8-14)11-12-18(21)20-17(13-23-19(20)22)16-5-3-2-4-6-16/h2-12,17H,13H2,1H3/b12-11+/t17-/m1/s1
InChIKeyIPXSZYICVIVCPJ-FMQWLBJXSA-N
MW307.35 g/mol
LogP3.73
Rot. Bonds3

About (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 66545222) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID66545222
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(/C=C/C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H17NO3/c1-14-7-9-15(10-8-14)11-12-18(21)20-17(13-23-19(20)22)16-5-3-2-4-6-16/h2-12,17H,13H2,1H3/b12-11+/t17-/m1/s1
InChIKeyIPXSZYICVIVCPJ-FMQWLBJXSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one
CID 7157228
Locostatin
CID 5702600
(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
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358
(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935
N-Isopropyl-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]acetamide
CID 72901041
(4S)-4-benzyl-3-but-2-enoyl-oxazolidin-2-one
CID 2733816

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 66545222) is (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is Cc1ccc(/C=C/C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IPXSZYICVIVCPJ-FMQWLBJXSA-N. The full InChI is InChI=1S/C19H17NO3/c1-14-7-9-15(10-8-14)11-12-18(21)20-17(13-23-19(20)22)16-5-3-2-4-6-16/h2-12,17H,13H2,1H3/b12-11+/t17-/m1/s1.
What are the key properties of (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 66545222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).