4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide

C18H17FN2O4S — CID 174394333

IUPAC4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(Cc2noc(C)c2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H17FN2O4S/c1-11-18(13-4-6-14(7-5-13)26(20,22)23)16(21-25-11)10-12-3-8-17(24-2)15(19)9-12/h3-9H,10H2,1-2H3,(H2,20,22,23)
InChIKeyWLKZVHBXQDSQJP-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.04
Rot. Bonds5

About 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide

4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 174394333) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID174394333
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(Cc2noc(C)c2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H17FN2O4S/c1-11-18(13-4-6-14(7-5-13)26(20,22)23)16(21-25-11)10-12-3-8-17(24-2)15(19)9-12/h3-9H,10H2,1-2H3,(H2,20,22,23)
InChIKeyWLKZVHBXQDSQJP-UHFFFAOYSA-N
XLogP3.04
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 19608718
4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1,2-thiazol-4-yl]benzenesulfonamide
CID 67578397
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370587
2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594963
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82086758
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 10249970
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860
4-[2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 20912177

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 174394333) is 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is COc1ccc(Cc2noc(C)c2-c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is WLKZVHBXQDSQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-11-18(13-4-6-14(7-5-13)26(20,22)23)16(21-25-11)10-12-3-8-17(24-2)15(19)9-12/h3-9H,10H2,1-2H3,(H2,20,22,23).
What are the key properties of 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 174394333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).