5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide

C19H17FN2O3 — CID 46096873

IUPAC5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)noc2-c2cccc(F)c2)c1
InChIInChI=1S/C19H17FN2O3/c1-12-17(18(25-22-12)14-6-4-7-15(20)10-14)19(23)21-11-13-5-3-8-16(9-13)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyOMSPHDHULSLFHJ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.73
Rot. Bonds5

About 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide

5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46096873) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46096873
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(C)noc2-c2cccc(F)c2)c1
InChIInChI=1S/C19H17FN2O3/c1-12-17(18(25-22-12)14-6-4-7-15(20)10-14)19(23)21-11-13-5-3-8-16(9-13)24-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyOMSPHDHULSLFHJ-UHFFFAOYSA-N
XLogP3.73
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide 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 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 46096873) is 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide is COc1cccc(CNC(=O)c2c(C)noc2-c2cccc(F)c2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OMSPHDHULSLFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12-17(18(25-22-12)14-6-4-7-15(20)10-14)19(23)21-11-13-5-3-8-16(9-13)24-2/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).