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

C20H13F2N3O2S — CID 58703397

IUPAC3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)s1
InChIInChI=1S/C20H13F2N3O2S/c1-11-2-3-12(16-6-7-24-27-16)8-13(11)17-4-5-18(28-17)25-20(26)19-14(21)9-23-10-15(19)22/h2-10H,1H3,(H,25,26)
InChIKeyHRAQGMJKHZGRMY-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.30
Rot. Bonds4

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

3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (PubChem CID 58703397) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
PubChem CID58703397
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)s1
InChIInChI=1S/C20H13F2N3O2S/c1-11-2-3-12(16-6-7-24-27-16)8-13(11)17-4-5-18(28-17)25-20(26)19-14(21)9-23-10-15(19)22/h2-10H,1H3,(H,25,26)
InChIKeyHRAQGMJKHZGRMY-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (CID 58703397) is 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is Cc1ccc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)s1.
What is the InChIKey of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The InChIKey is HRAQGMJKHZGRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c1-11-2-3-12(16-6-7-24-27-16)8-13(11)17-4-5-18(28-17)25-20(26)19-14(21)9-23-10-15(19)22/h2-10H,1H3,(H,25,26).
What are the key properties of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58703397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).