(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

C25H21NO3 — CID 11760765

IUPAC(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21NO3/c27-23(17-16-19-10-4-1-5-11-19)26-22(18-29-25(26)28)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24H,18H2/b17-16+/t22-/m0/s1
InChIKeyLXIZFADVVAUGRW-QWYDYZLZSA-N
MW383.45 g/mol
LogP4.88
Rot. Bonds5

About (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11760765) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID11760765
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21NO3/c27-23(17-16-19-10-4-1-5-11-19)26-22(18-29-25(26)28)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24H,18H2/b17-16+/t22-/m0/s1
InChIKeyLXIZFADVVAUGRW-QWYDYZLZSA-N
XLogP4.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-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

3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
(4R)-4-(benzylsulfinylmethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 102459011
(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
CID 11111070
4-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxoprop-1-enyl]benzonitrile
CID 67211799
(4R)-3-[(E)-3-(3-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 167227898
4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 22228455
(4S)-4-propan-2-yl-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 11314073
(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695
(2S)-1-[(4R)-4-benzhydryl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-2-prop-2-enylbutane-1,4-dione
CID 135840157
(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one
CID 11291807
(4S)-3-[(E)-3-(3-amino-4-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 12002759
3-[(E)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxoprop-1-enyl]benzonitrile
CID 68917235

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (CID 11760765) is (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccccc1)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is LXIZFADVVAUGRW-QWYDYZLZSA-N. The full InChI is InChI=1S/C25H21NO3/c27-23(17-16-19-10-4-1-5-11-19)26-22(18-29-25(26)28)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24H,18H2/b17-16+/t22-/m0/s1.
What are the key properties of (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 383.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11760765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).