3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one

C18H19NO2 — CID 69050708

IUPAC3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one
SMILESCC1OC(=O)N(C)C1(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-13-18(2,19(3)17(20)21-13)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyDAXJUIHNTDALGX-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.04
Rot. Bonds2

About 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one

3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one (PubChem CID 69050708) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one
PubChem CID69050708
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one
SMILESCC1OC(=O)N(C)C1(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-13-18(2,19(3)17(20)21-13)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyDAXJUIHNTDALGX-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,5-trimethyl-4-(4-phenylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one (CID 69050708) is 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one is CC1OC(=O)N(C)C1(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DAXJUIHNTDALGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-18(2,19(3)17(20)21-13)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,1-3H3.
What are the key properties of 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one?
3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69050708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).