2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C17H13F3N4O2 — CID 122535251

IUPAC2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccon1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)11-3-5-12(6-4-11)23-16(25)14-2-1-8-21-15(14)22-10-13-7-9-26-24-13/h1-9H,10H2,(H,21,22)(H,23,25)
InChIKeyBXAOZFCAIZPKTP-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.95
Rot. Bonds5

About 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 122535251) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID122535251
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccon1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)11-3-5-12(6-4-11)23-16(25)14-2-1-8-21-15(14)22-10-13-7-9-26-24-13/h1-9H,10H2,(H,21,22)(H,23,25)
InChIKeyBXAOZFCAIZPKTP-UHFFFAOYSA-N
XLogP3.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 122535251) is 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BXAOZFCAIZPKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)11-3-5-12(6-4-11)23-16(25)14-2-1-8-21-15(14)22-10-13-7-9-26-24-13/h1-9H,10H2,(H,21,22)(H,23,25).
What are the key properties of 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122535251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).