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

C22H19F4N3O4 — CID 42629332

IUPAC6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1
InChIInChI=1S/C22H19F4N3O4/c23-15-4-1-13(2-5-15)19-17(20(33-29-19)22(24,25)26)12-32-18-6-3-14(11-27-18)21(30)28-16-7-9-31-10-8-16/h1-6,11,16H,7-10,12H2,(H,28,30)
InChIKeyVXSODAOHMBAYGE-UHFFFAOYSA-N
MW465.40 g/mol
LogP4.38
Rot. Bonds6

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

6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 42629332) has the molecular formula C22H19F4N3O4 and a molecular weight of 465.40 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID42629332
Molecular FormulaC22H19F4N3O4
Molecular Weight465.40 g/mol
Exact Mass465.13
IUPAC Name6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1
InChIInChI=1S/C22H19F4N3O4/c23-15-4-1-13(2-5-15)19-17(20(33-29-19)22(24,25)26)12-32-18-6-3-14(11-27-18)21(30)28-16-7-9-31-10-8-16/h1-6,11,16H,7-10,12H2,(H,28,30)
InChIKeyVXSODAOHMBAYGE-UHFFFAOYSA-N
XLogP4.38
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide (CID 42629332) is 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide is O=C(NC1CCOCC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is VXSODAOHMBAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O4/c23-15-4-1-13(2-5-15)19-17(20(33-29-19)22(24,25)26)12-32-18-6-3-14(11-27-18)21(30)28-16-7-9-31-10-8-16/h1-6,11,16H,7-10,12H2,(H,28,30).
What are the key properties of 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide?
6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 465.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 42629332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).