[4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate

C25H18ClNO4 — CID 118057921

IUPAC[4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1onc(C)c1-c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClNO4/c1-15-7-3-4-8-19(15)24(29)30-25-22(16(2)27-31-25)20-9-5-6-10-21(20)23(28)17-11-13-18(26)14-12-17/h3-14H,1-2H3
InChIKeyFARVVXPXSGNAPF-UHFFFAOYSA-N
MW431.88 g/mol
LogP6.06
Rot. Bonds5

About [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate

[4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate (PubChem CID 118057921) has the molecular formula C25H18ClNO4 and a molecular weight of 431.88 g/mol. Its IUPAC name is [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate.

Molecular Properties

Compound Name[4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate
PubChem CID118057921
Molecular FormulaC25H18ClNO4
Molecular Weight431.88 g/mol
Exact Mass431.09
IUPAC Name[4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1onc(C)c1-c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClNO4/c1-15-7-3-4-8-19(15)24(29)30-25-22(16(2)27-31-25)20-9-5-6-10-21(20)23(28)17-11-13-18(26)14-12-17/h3-14H,1-2H3
InChIKeyFARVVXPXSGNAPF-UHFFFAOYSA-N
XLogP6.06
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate 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 [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate?
The IUPAC name of [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate (CID 118057921) is [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate.
What is the SMILES notation for [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate?
The canonical SMILES for [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate is Cc1ccccc1C(=O)Oc1onc(C)c1-c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate?
The InChIKey is FARVVXPXSGNAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO4/c1-15-7-3-4-8-19(15)24(29)30-25-22(16(2)27-31-25)20-9-5-6-10-21(20)23(28)17-11-13-18(26)14-12-17/h3-14H,1-2H3.
What are the key properties of [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate?
[4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate has a molecular weight of 431.88 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazol-5-yl] 2-methylbenzoate is sourced from PubChem (CID 118057921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).