6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C18H15F3N4O3 — CID 42630168

IUPAC6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C18H15F3N4O3/c1-11-13(16(25-28-11)14-4-2-3-7-22-14)9-27-15-6-5-12(8-23-15)17(26)24-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,24,26)
InChIKeyVEUCJUFCARGBRL-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.31
Rot. Bonds6

About 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 42630168) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID42630168
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C18H15F3N4O3/c1-11-13(16(25-28-11)14-4-2-3-7-22-14)9-27-15-6-5-12(8-23-15)17(26)24-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,24,26)
InChIKeyVEUCJUFCARGBRL-UHFFFAOYSA-N
XLogP3.31
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 42630168) is 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is VEUCJUFCARGBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-11-13(16(25-28-11)14-4-2-3-7-22-14)9-27-15-6-5-12(8-23-15)17(26)24-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,24,26).
What are the key properties of 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42630168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).