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

C19H14F5N3O4 — CID 46928967

IUPAC6-[[3-(3,4-difluorophenyl)-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)c(F)c3)noc2CO)nc1
InChIInChI=1S/C19H14F5N3O4/c20-13-3-1-10(5-14(13)21)17-12(15(7-28)31-27-17)8-30-16-4-2-11(6-25-16)18(29)26-9-19(22,23)24/h1-6,28H,7-9H2,(H,26,29)
InChIKeyBNAQMHDTNNBXAM-UHFFFAOYSA-N
MW443.33 g/mol
LogP3.38
Rot. Bonds7

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

6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 46928967) has the molecular formula C19H14F5N3O4 and a molecular weight of 443.33 g/mol. Its IUPAC name is 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID46928967
Molecular FormulaC19H14F5N3O4
Molecular Weight443.33 g/mol
Exact Mass443.09
IUPAC Name6-[[3-(3,4-difluorophenyl)-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)c(F)c3)noc2CO)nc1
InChIInChI=1S/C19H14F5N3O4/c20-13-3-1-10(5-14(13)21)17-12(15(7-28)31-27-17)8-30-16-4-2-11(6-25-16)18(29)26-9-19(22,23)24/h1-6,28H,7-9H2,(H,26,29)
InChIKeyBNAQMHDTNNBXAM-UHFFFAOYSA-N
XLogP3.38
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 46928967) is 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(3,4-difluorophenyl)-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)c(F)c3)noc2CO)nc1.
What is the InChIKey of 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is BNAQMHDTNNBXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O4/c20-13-3-1-10(5-14(13)21)17-12(15(7-28)31-27-17)8-30-16-4-2-11(6-25-16)18(29)26-9-19(22,23)24/h1-6,28H,7-9H2,(H,26,29).
What are the key properties of 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 443.33 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46928967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).