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

C18H14F4N4O3 — CID 71811878

IUPAC6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C18H14F4N4O3/c1-10-13(16(26-29-10)14-4-3-12(19)7-23-14)8-28-15-5-2-11(6-24-15)17(27)25-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,25,27)
InChIKeyYRPCFFCLKOBWPY-UHFFFAOYSA-N
MW410.33 g/mol
LogP3.45
Rot. Bonds6

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

6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 71811878) has the molecular formula C18H14F4N4O3 and a molecular weight of 410.33 g/mol. Its IUPAC name is 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID71811878
Molecular FormulaC18H14F4N4O3
Molecular Weight410.33 g/mol
Exact Mass410.10
IUPAC Name6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C18H14F4N4O3/c1-10-13(16(26-29-10)14-4-3-12(19)7-23-14)8-28-15-5-2-11(6-24-15)17(27)25-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,25,27)
InChIKeyYRPCFFCLKOBWPY-UHFFFAOYSA-N
XLogP3.45
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 71811878) is 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is YRPCFFCLKOBWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O3/c1-10-13(16(26-29-10)14-4-3-12(19)7-23-14)8-28-15-5-2-11(6-24-15)17(27)25-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,25,27).
What are the key properties of 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 410.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71811878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).