N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H15FN2O4S — CID 167785118

IUPACN-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)Cc2ccc(F)cc2C)no1
InChIInChI=1S/C14H15FN2O4S/c1-9-5-12(15)4-3-11(9)8-22(19,20)17-14(18)7-13-6-10(2)21-16-13/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyBQHPFAPMXZUSSI-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.62
Rot. Bonds5

About N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 167785118) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID167785118
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC NameN-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)Cc2ccc(F)cc2C)no1
InChIInChI=1S/C14H15FN2O4S/c1-9-5-12(15)4-3-11(9)8-22(19,20)17-14(18)7-13-6-10(2)21-16-13/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyBQHPFAPMXZUSSI-UHFFFAOYSA-N
XLogP1.62
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide 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 N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 167785118) is N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)NS(=O)(=O)Cc2ccc(F)cc2C)no1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BQHPFAPMXZUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-9-5-12(15)4-3-11(9)8-22(19,20)17-14(18)7-13-6-10(2)21-16-13/h3-6H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 167785118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).