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

C24H20F3N5O3 — CID 25132481

IUPACN-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1
InChIInChI=1S/C24H20F3N5O3/c25-24(26,27)22-20(21(31-35-22)15-4-2-1-3-5-15)18-13-32(14-29-18)19-7-6-16(12-28-19)23(33)30-17-8-10-34-11-9-17/h1-7,12-14,17H,8-11H2,(H,30,33)
InChIKeyOPPXQWCGLIYPDG-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.52
Rot. Bonds5

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

N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide (PubChem CID 25132481) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide
PubChem CID25132481
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC NameN-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1
InChIInChI=1S/C24H20F3N5O3/c25-24(26,27)22-20(21(31-35-22)15-4-2-1-3-5-15)18-13-32(14-29-18)19-7-6-16(12-28-19)23(33)30-17-8-10-34-11-9-17/h1-7,12-14,17H,8-11H2,(H,30,33)
InChIKeyOPPXQWCGLIYPDG-UHFFFAOYSA-N
XLogP4.52
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide (CID 25132481) is N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide is O=C(NC1CCOCC1)c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1.
What is the InChIKey of N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide?
The InChIKey is OPPXQWCGLIYPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c25-24(26,27)22-20(21(31-35-22)15-4-2-1-3-5-15)18-13-32(14-29-18)19-7-6-16(12-28-19)23(33)30-17-8-10-34-11-9-17/h1-7,12-14,17H,8-11H2,(H,30,33).
What are the key properties of N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide?
N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25132481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).