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

C16H10F3N3O2 — CID 162429879

IUPACN-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ncco1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-3-1-2-10(8-12)11-4-5-20-13(9-11)14(23)22-15-21-6-7-24-15/h1-9H,(H,21,22,23)
InChIKeyHNFVWCVKTSUVQU-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.01
Rot. Bonds3

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

N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 162429879) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID162429879
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC NameN-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ncco1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-3-1-2-10(8-12)11-4-5-20-13(9-11)14(23)22-15-21-6-7-24-15/h1-9H,(H,21,22,23)
InChIKeyHNFVWCVKTSUVQU-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 162429879) is N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ncco1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is HNFVWCVKTSUVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)12-3-1-2-10(8-12)11-4-5-20-13(9-11)14(23)22-15-21-6-7-24-15/h1-9H,(H,21,22,23).
What are the key properties of N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-yl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 162429879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).