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

C19H15ClF3N3O4 — CID 46928766

IUPAC6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2CO)nc1
InChIInChI=1S/C19H15ClF3N3O4/c20-13-4-1-11(2-5-13)17-14(15(8-27)30-26-17)9-29-16-6-3-12(7-24-16)18(28)25-10-19(21,22)23/h1-7,27H,8-10H2,(H,25,28)
InChIKeyIHJHGQCFHACJMN-UHFFFAOYSA-N
MW441.79 g/mol
LogP3.75
Rot. Bonds7

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

6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 46928766) has the molecular formula C19H15ClF3N3O4 and a molecular weight of 441.79 g/mol. Its IUPAC name is 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID46928766
Molecular FormulaC19H15ClF3N3O4
Molecular Weight441.79 g/mol
Exact Mass441.07
IUPAC Name6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2CO)nc1
InChIInChI=1S/C19H15ClF3N3O4/c20-13-4-1-11(2-5-13)17-14(15(8-27)30-26-17)9-29-16-6-3-12(7-24-16)18(28)25-10-19(21,22)23/h1-7,27H,8-10H2,(H,25,28)
InChIKeyIHJHGQCFHACJMN-UHFFFAOYSA-N
XLogP3.75
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.79
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide
CID 134604371
5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methyl-isoxazol-5-ylmethoxy)-nicotinamide
CID 11950060
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42629329
n-(2-Hydroxy-1-methyl-ethyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42629454
N-((S)-1-Hydroxymethyl-propyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42629686
6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-((R)-2-hydroxy-1-methyl-ethyl)-nicotinamide
CID 42630048
6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-((S)-2-hydroxy-1-methyl-ethyl)-nicotinamide
CID 42630049
6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-cyclopropylpyridine-3-carboxamide
CID 42630414
6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42630663
6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 42630774
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 57520181
6-[3-(2-Fluoro-4-methyl-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 57520477

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 46928766) is 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2CO)nc1.
What is the InChIKey of 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is IHJHGQCFHACJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O4/c20-13-4-1-11(2-5-13)17-14(15(8-27)30-26-17)9-29-16-6-3-12(7-24-16)18(28)25-10-19(21,22)23/h1-7,27H,8-10H2,(H,25,28).
What are the key properties of 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 441.79 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46928766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).