3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole

C16H13FN2O3S — CID 136525561

IUPAC3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1
InChIInChI=1S/C16H13FN2O3S/c1-23(20,21)14-8-4-12(5-9-14)16-18-15(19-22-16)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKeyXLJRKBHTUYLBOS-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.87
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole

3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole (PubChem CID 136525561) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
PubChem CID136525561
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1
InChIInChI=1S/C16H13FN2O3S/c1-23(20,21)14-8-4-12(5-9-14)16-18-15(19-22-16)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKeyXLJRKBHTUYLBOS-UHFFFAOYSA-N
XLogP2.87
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole 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

2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
2-chloro-5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 43329989
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 43152232
4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106523839
5-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 167279716
3-(3,4-dimethoxyphenyl)-5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91917207
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
N-tert-butyl-3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 166213390
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 43329987

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole (CID 136525561) is 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole is CS(=O)(=O)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The InChIKey is XLJRKBHTUYLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-23(20,21)14-8-4-12(5-9-14)16-18-15(19-22-16)10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole?
3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136525561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).