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

C19H15F4N3O3 — CID 42629204

IUPAC6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C19H15F4N3O3/c1-11-15(17(26-29-11)12-3-2-4-14(20)7-12)9-28-16-6-5-13(8-24-16)18(27)25-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,25,27)
InChIKeyVIFMHLABYKWPLL-UHFFFAOYSA-N
MW409.34 g/mol
LogP4.06
Rot. Bonds6

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

6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 42629204) has the molecular formula C19H15F4N3O3 and a molecular weight of 409.34 g/mol. Its IUPAC name is 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID42629204
Molecular FormulaC19H15F4N3O3
Molecular Weight409.34 g/mol
Exact Mass409.10
IUPAC Name6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C19H15F4N3O3/c1-11-15(17(26-29-11)12-3-2-4-14(20)7-12)9-28-16-6-5-13(8-24-16)18(27)25-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,25,27)
InChIKeyVIFMHLABYKWPLL-UHFFFAOYSA-N
XLogP4.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 42629204) is 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is VIFMHLABYKWPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O3/c1-11-15(17(26-29-11)12-3-2-4-14(20)7-12)9-28-16-6-5-13(8-24-16)18(27)25-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,25,27).
What are the key properties of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 409.34 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42629204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).