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

C21H14F2N2O2S — CID 24875412

IUPAC2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
SMILESCc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H14F2N2O2S/c1-12-9-18(17-10-24-11-27-17)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)
InChIKeyBXXSXUNGYWEENS-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.91
Rot. Bonds4

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

2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide (PubChem CID 24875412) 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-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
PubChem CID24875412
Molecular FormulaC21H14F2N2O2S
Molecular Weight396.42 g/mol
Exact Mass396.07
IUPAC Name2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
SMILESCc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H14F2N2O2S/c1-12-9-18(17-10-24-11-27-17)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)
InChIKeyBXXSXUNGYWEENS-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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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide (CID 24875412) is 2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide is Cc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide?
The InChIKey is BXXSXUNGYWEENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S/c1-12-9-18(17-10-24-11-27-17)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-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[3-methyl-5-(1,3-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-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide is sourced from PubChem (CID 24875412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).