4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

C19H12F2N4O2S — CID 39042536

IUPAC4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H12F2N4O2S/c1-10-15(18-23-16(25-27-18)11-2-6-13(20)7-3-11)28-19(22-10)24-17(26)12-4-8-14(21)9-5-12/h2-9H,1H3,(H,22,24,26)
InChIKeyXSUPKMIRNVGYQD-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.70
Rot. Bonds4

About 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 39042536) has the molecular formula C19H12F2N4O2S and a molecular weight of 398.39 g/mol. Its IUPAC name is 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID39042536
Molecular FormulaC19H12F2N4O2S
Molecular Weight398.39 g/mol
Exact Mass398.06
IUPAC Name4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H12F2N4O2S/c1-10-15(18-23-16(25-27-18)11-2-6-13(20)7-3-11)28-19(22-10)24-17(26)12-4-8-14(21)9-5-12/h2-9H,1H3,(H,22,24,26)
InChIKeyXSUPKMIRNVGYQD-UHFFFAOYSA-N
XLogP4.70
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide 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

N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39042983
4-bromo-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39040541
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 46265245
4-fluoro-N-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-yl]benzamide
CID 50754486
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 50754591
5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 39041608
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 39043081
3,4,5-trimethoxy-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39041216
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39350111
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86777420
N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 39040887
2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946838

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 39042536) is 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is XSUPKMIRNVGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2S/c1-10-15(18-23-16(25-27-18)11-2-6-13(20)7-3-11)28-19(22-10)24-17(26)12-4-8-14(21)9-5-12/h2-9H,1H3,(H,22,24,26).
What are the key properties of 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 398.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 39042536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).