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

C19H15F4N3O4 — CID 46928572

IUPAC6-[[3-(4-fluorophenyl)-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(F)cc3)noc2CO)nc1
InChIInChI=1S/C19H15F4N3O4/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)
InChIKeyCDPKTMDGAPJMRJ-UHFFFAOYSA-N
MW425.34 g/mol
LogP3.24
Rot. Bonds7

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

6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 46928572) has the molecular formula C19H15F4N3O4 and a molecular weight of 425.34 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID46928572
Molecular FormulaC19H15F4N3O4
Molecular Weight425.34 g/mol
Exact Mass425.10
IUPAC Name6-[[3-(4-fluorophenyl)-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(F)cc3)noc2CO)nc1
InChIInChI=1S/C19H15F4N3O4/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)
InChIKeyCDPKTMDGAPJMRJ-UHFFFAOYSA-N
XLogP3.24
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928967
6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
CID 66718168
3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492440
CID 172815273
CID 172815273
N-ethyl-6-[[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 68938732
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087
6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-[(2R)-2-hydroxycyclopentylidene]pyridine-3-carboxamide
CID 163959762
5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide
CID 46944266
3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
CID 100630633
N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide
CID 53156110
N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629807
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 46928572) is 6-[[3-(4-fluorophenyl)-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-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-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(F)cc3)noc2CO)nc1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is CDPKTMDGAPJMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O4/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-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 425.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46928572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).