N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C23H17F3N4O4 — CID 166108630

IUPACN-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2c[nH]c(=O)c(C(F)(F)F)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C23H17F3N4O4/c1-12-18(19(30-34-12)13-6-4-3-5-7-13)21(32)28-17-9-8-16(29-22(17)33-2)14-10-15(23(24,25)26)20(31)27-11-14/h3-11H,1-2H3,(H,27,31)(H,28,32)
InChIKeyPJTINRSMNMOQDD-UHFFFAOYSA-N
MW470.41 g/mol
LogP4.68
Rot. Bonds5

About N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108630) has the molecular formula C23H17F3N4O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108630
Molecular FormulaC23H17F3N4O4
Molecular Weight470.41 g/mol
Exact Mass470.12
IUPAC NameN-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2c[nH]c(=O)c(C(F)(F)F)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C23H17F3N4O4/c1-12-18(19(30-34-12)13-6-4-3-5-7-13)21(32)28-17-9-8-16(29-22(17)33-2)14-10-15(23(24,25)26)20(31)27-11-14/h3-11H,1-2H3,(H,27,31)(H,28,32)
InChIKeyPJTINRSMNMOQDD-UHFFFAOYSA-N
XLogP4.68
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108630) is N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2c[nH]c(=O)c(C(F)(F)F)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is PJTINRSMNMOQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4/c1-12-18(19(30-34-12)13-6-4-3-5-7-13)21(32)28-17-9-8-16(29-22(17)33-2)14-10-15(23(24,25)26)20(31)27-11-14/h3-11H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 470.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-6-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).