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

C23H22F3N3O4 — CID 42629073

IUPAC6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)NC2CCOCC2)cn1
InChIInChI=1S/C23H22F3N3O4/c1-14-18(21(29-33-14)15-5-3-2-4-6-15)13-32-20-11-19(23(24,25)26)17(12-27-20)22(30)28-16-7-9-31-10-8-16/h2-6,11-12,16H,7-10,13H2,1H3,(H,28,30)
InChIKeyRESJIAYMMAZOQG-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.55
Rot. Bonds6

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

6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 42629073) has the molecular formula C23H22F3N3O4 and a molecular weight of 461.44 g/mol. Its IUPAC name is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID42629073
Molecular FormulaC23H22F3N3O4
Molecular Weight461.44 g/mol
Exact Mass461.16
IUPAC Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)NC2CCOCC2)cn1
InChIInChI=1S/C23H22F3N3O4/c1-14-18(21(29-33-14)15-5-3-2-4-6-15)13-32-20-11-19(23(24,25)26)17(12-27-20)22(30)28-16-7-9-31-10-8-16/h2-6,11-12,16H,7-10,13H2,1H3,(H,28,30)
InChIKeyRESJIAYMMAZOQG-UHFFFAOYSA-N
XLogP4.55
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 42629073) is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)NC2CCOCC2)cn1.
What is the InChIKey of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RESJIAYMMAZOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O4/c1-14-18(21(29-33-14)15-5-3-2-4-6-15)13-32-20-11-19(23(24,25)26)17(12-27-20)22(30)28-16-7-9-31-10-8-16/h2-6,11-12,16H,7-10,13H2,1H3,(H,28,30).
What are the key properties of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42629073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).