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

C21H14F2N2O2S — CID 24875603

IUPAC2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
SMILESCc1sc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H14F2N2O2S/c1-12-15(11-18(28-12)21-24-9-10-27-21)13-5-7-14(8-6-13)25-20(26)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,25,26)
InChIKeyWYYSCGSALKNGNK-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.91
Rot. Bonds4

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

2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide (PubChem CID 24875603) has the molecular formula C21H14F2N2O2S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
PubChem CID24875603
Molecular FormulaC21H14F2N2O2S
Molecular Weight396.42 g/mol
Exact Mass396.07
IUPAC Name2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
SMILESCc1sc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H14F2N2O2S/c1-12-15(11-18(28-12)21-24-9-10-27-21)13-5-7-14(8-6-13)25-20(26)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,25,26)
InChIKeyWYYSCGSALKNGNK-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

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Related Compounds

2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875776
2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 59334276
N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
CID 24776094
2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide
CID 71158533
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
CID 24876400
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 54596606
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
CID 69285195
2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 45280753
2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide
CID 59517951
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
CID 73052207
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide (CID 24875603) is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide is Cc1sc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The InChIKey is WYYSCGSALKNGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S/c1-12-15(11-18(28-12)21-24-9-10-27-21)13-5-7-14(8-6-13)25-20(26)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,25,26).
What are the key properties of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-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-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide is sourced from PubChem (CID 24875603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).