2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one

C31H23NO2 — CID 12861079

IUPAC2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one
SMILESCC1(C2(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)N=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C31H23NO2/c1-30(32-28(29(33)34-30)24-18-10-4-11-19-24)31(25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(31)23-16-8-3-9-17-23/h2-21H,1H3
InChIKeyZDYTXNDDYHFVCT-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.31
Rot. Bonds5

About 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one

2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one (PubChem CID 12861079) has the molecular formula C31H23NO2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one
PubChem CID12861079
Molecular FormulaC31H23NO2
Molecular Weight441.53 g/mol
Exact Mass441.17
IUPAC Name2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one
SMILESCC1(C2(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)N=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C31H23NO2/c1-30(32-28(29(33)34-30)24-18-10-4-11-19-24)31(25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(31)23-16-8-3-9-17-23/h2-21H,1H3
InChIKeyZDYTXNDDYHFVCT-UHFFFAOYSA-N
XLogP6.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one?
The IUPAC name of 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one (CID 12861079) is 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one.
What is the SMILES notation for 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one?
The canonical SMILES for 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one is CC1(C2(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)N=C(c2ccccc2)C(=O)O1.
What is the InChIKey of 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one?
The InChIKey is ZDYTXNDDYHFVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO2/c1-30(32-28(29(33)34-30)24-18-10-4-11-19-24)31(25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(31)23-16-8-3-9-17-23/h2-21H,1H3.
What are the key properties of 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one?
2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one has a molecular weight of 441.53 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 12861079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).