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

C21H14F2N2O2S — CID 11639836

IUPAC2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C21H14F2N2O2S/c1-12-5-6-13(21-24-9-10-27-21)11-14(12)17-7-8-18(28-17)25-20(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
InChIKeyRMTLHQQETULZDK-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.91
Rot. Bonds4

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

2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide (PubChem CID 11639836) has the molecular formula C21H14F2N2O2S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide
PubChem CID11639836
Molecular FormulaC21H14F2N2O2S
Molecular Weight396.42 g/mol
Exact Mass396.07
IUPAC Name2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C21H14F2N2O2S/c1-12-5-6-13(21-24-9-10-27-21)11-14(12)17-7-8-18(28-17)25-20(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
InChIKeyRMTLHQQETULZDK-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-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide (CID 11639836) is 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide?
The InChIKey is RMTLHQQETULZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S/c1-12-5-6-13(21-24-9-10-27-21)11-14(12)17-7-8-18(28-17)25-20(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-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide?
2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]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-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 11639836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).