2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide

C21H14F2N2O2S — CID 25177135

IUPAC2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
SMILESCc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H14F2N2O2S/c1-12-11-18(17-9-10-24-27-17)28-20(12)13-5-7-14(8-6-13)25-21(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
InChIKeyGLTCYEVKRWEOFL-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.91
Rot. Bonds4

About 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide

2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide (PubChem CID 25177135) has the molecular formula C21H14F2N2O2S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
PubChem CID25177135
Molecular FormulaC21H14F2N2O2S
Molecular Weight396.42 g/mol
Exact Mass396.07
IUPAC Name2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
SMILESCc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H14F2N2O2S/c1-12-11-18(17-9-10-24-27-17)28-20(12)13-5-7-14(8-6-13)25-21(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
InChIKeyGLTCYEVKRWEOFL-UHFFFAOYSA-N
XLogP5.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]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-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl}-2-(thiophen-2-yl)acetamide
CID 27555355
N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide
CID 155532649
3-methyl-N-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46101243
N-[4-[(4,5-Dihydro-6H-isoxazolo[5,4-d]thieno[3,2,b]azepin-6-yl)carbonyl]phenyl]-5-fluoro-2-methylbenzamide
CID 19699061
1-(2,6-Difluoro-phenyl)-3-[4-(5-isoxazol-5-yl-3-methylthiophen-2-yl)-phenyl]-urea
CID 24830145
5-(2-methylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 54571721
3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703397
N-[(3-fluoro-4-pyridinyl)methyl]-4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]aniline
CID 59014075
N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 59014078
(E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
CID 76902708
(E)-3-(2-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
CID 90264846
3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
CID 123443563

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide (CID 25177135) is 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide is Cc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide?
The InChIKey is GLTCYEVKRWEOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S/c1-12-11-18(17-9-10-24-27-17)28-20(12)13-5-7-14(8-6-13)25-21(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26).
What are the key properties of 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide is sourced from PubChem (CID 25177135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).