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

C22H17FN4O4 — CID 166108877

IUPACN-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2c[nH]c(=O)c(F)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C22H17FN4O4/c1-12-18(19(27-31-12)13-6-4-3-5-7-13)21(29)25-17-9-8-16(26-22(17)30-2)14-10-15(23)20(28)24-11-14/h3-11H,1-2H3,(H,24,28)(H,25,29)
InChIKeyVGJROXLZEXLPRA-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.80
Rot. Bonds5

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

N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108877) has the molecular formula C22H17FN4O4 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108877
Molecular FormulaC22H17FN4O4
Molecular Weight420.40 g/mol
Exact Mass420.12
IUPAC NameN-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2c[nH]c(=O)c(F)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C22H17FN4O4/c1-12-18(19(27-31-12)13-6-4-3-5-7-13)21(29)25-17-9-8-16(26-22(17)30-2)14-10-15(23)20(28)24-11-14/h3-11H,1-2H3,(H,24,28)(H,25,29)
InChIKeyVGJROXLZEXLPRA-UHFFFAOYSA-N
XLogP3.80
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108877) is N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2c[nH]c(=O)c(F)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VGJROXLZEXLPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O4/c1-12-18(19(27-31-12)13-6-4-3-5-7-13)21(29)25-17-9-8-16(26-22(17)30-2)14-10-15(23)20(28)24-11-14/h3-11H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).