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

C21H16FN3O2S — CID 24876151

IUPAC2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(C)cccc2F)nc1
InChIInChI=1S/C21H16FN3O2S/c1-12-4-3-5-15(22)19(12)21(26)25-18-7-6-14(11-23-18)20-13(2)10-17(28-20)16-8-9-24-27-16/h3-11H,1-2H3,(H,23,25,26)
InChIKeyCKCUVYREMLVMLD-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.47
Rot. Bonds4

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

2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide (PubChem CID 24876151) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide
PubChem CID24876151
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(C)cccc2F)nc1
InChIInChI=1S/C21H16FN3O2S/c1-12-4-3-5-15(22)19(12)21(26)25-18-7-6-14(11-23-18)20-13(2)10-17(28-20)16-8-9-24-27-16/h3-11H,1-2H3,(H,23,25,26)
InChIKeyCKCUVYREMLVMLD-UHFFFAOYSA-N
XLogP5.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide (CID 24876151) is 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide is Cc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(C)cccc2F)nc1.
What is the InChIKey of 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide?
The InChIKey is CKCUVYREMLVMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-12-4-3-5-15(22)19(12)21(26)25-18-7-6-14(11-23-18)20-13(2)10-17(28-20)16-8-9-24-27-16/h3-11H,1-2H3,(H,23,25,26).
What are the key properties of 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide?
2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24876151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).