5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide

C25H22FN3O3S — CID 71289095

IUPAC5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2cncc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)s1
InChIInChI=1S/C25H22FN3O3S/c1-15(30)20-8-9-21(33-20)17-10-18(12-27-11-17)23(31)28-14-25(2,3)22-13-32-24(29-22)16-4-6-19(26)7-5-16/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyJLSJZBYURVDUNX-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.51
Rot. Bonds7

About 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide

5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide (PubChem CID 71289095) has the molecular formula C25H22FN3O3S and a molecular weight of 463.53 g/mol. Its IUPAC name is 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide
PubChem CID71289095
Molecular FormulaC25H22FN3O3S
Molecular Weight463.53 g/mol
Exact Mass463.14
IUPAC Name5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2cncc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)s1
InChIInChI=1S/C25H22FN3O3S/c1-15(30)20-8-9-21(33-20)17-10-18(12-27-11-17)23(31)28-14-25(2,3)22-13-32-24(29-22)16-4-6-19(26)7-5-16/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyJLSJZBYURVDUNX-UHFFFAOYSA-N
XLogP5.51
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide?
The IUPAC name of 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide (CID 71289095) is 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide is CC(=O)c1ccc(-c2cncc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)s1.
What is the InChIKey of 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide?
The InChIKey is JLSJZBYURVDUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S/c1-15(30)20-8-9-21(33-20)17-10-18(12-27-11-17)23(31)28-14-25(2,3)22-13-32-24(29-22)16-4-6-19(26)7-5-16/h4-13H,14H2,1-3H3,(H,28,31).
What are the key properties of 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide?
5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 71289095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).