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

C16H10F3N3O3 — CID 162429828

IUPACN-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ncco1)c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C16H10F3N3O3/c17-16(18,19)25-12-3-1-10(2-4-12)11-5-6-20-13(9-11)14(23)22-15-21-7-8-24-15/h1-9H,(H,21,22,23)
InChIKeyDTRHXPDFFBVEPQ-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.89
Rot. Bonds4

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

N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 162429828) has the molecular formula C16H10F3N3O3 and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID162429828
Molecular FormulaC16H10F3N3O3
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC NameN-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ncco1)c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C16H10F3N3O3/c17-16(18,19)25-12-3-1-10(2-4-12)11-5-6-20-13(9-11)14(23)22-15-21-7-8-24-15/h1-9H,(H,21,22,23)
InChIKeyDTRHXPDFFBVEPQ-UHFFFAOYSA-N
XLogP3.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (CID 162429828) is N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ncco1)c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1.
What is the InChIKey of N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is DTRHXPDFFBVEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3/c17-16(18,19)25-12-3-1-10(2-4-12)11-5-6-20-13(9-11)14(23)22-15-21-7-8-24-15/h1-9H,(H,21,22,23).
What are the key properties of N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 162429828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).