(4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one

C21H21NO3 — CID 91236625

IUPAC(4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one
SMILESCC=C(Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C21H21NO3/c1-2-18(13-16-9-5-3-6-10-16)20(23)22-19(15-25-21(22)24)14-17-11-7-4-8-12-17/h2-12,19H,13-15H2,1H3/t19-/m1/s1
InChIKeyUCRJWZUMGXIVEK-LJQANCHMSA-N
MW335.40 g/mol
LogP3.77
Rot. Bonds5

About (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one (PubChem CID 91236625) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one
PubChem CID91236625
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one
SMILESCC=C(Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C21H21NO3/c1-2-18(13-16-9-5-3-6-10-16)20(23)22-19(15-25-21(22)24)14-17-11-7-4-8-12-17/h2-12,19H,13-15H2,1H3/t19-/m1/s1
InChIKeyUCRJWZUMGXIVEK-LJQANCHMSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-(2-benzylbut-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

4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
(4R)-4-benzyl-3-[(E)-2-[(1S)-1-hydroxyethyl]but-2-enoyl]-1,3-oxazolidin-2-one
CID 123710125
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
CID 72740960
(4S)-4-benzyl-3-but-2-ynoyl-1,3-oxazolidin-2-one
CID 10243489
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one (CID 91236625) is (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one is CC=C(Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is UCRJWZUMGXIVEK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21NO3/c1-2-18(13-16-9-5-3-6-10-16)20(23)22-19(15-25-21(22)24)14-17-11-7-4-8-12-17/h2-12,19H,13-15H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 335.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 91236625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).