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

C19H16N6O3 — CID 166108561

IUPACN-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-n2cnnc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C19H16N6O3/c1-12-16(17(24-28-12)13-6-4-3-5-7-13)18(26)22-14-8-9-15(23-19(14)27-2)25-10-20-21-11-25/h3-11H,1-2H3,(H,22,26)
InChIKeyCSHLEYCIDAXVMS-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.89
Rot. Bonds5

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

N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108561) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108561
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC NameN-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-n2cnnc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C19H16N6O3/c1-12-16(17(24-28-12)13-6-4-3-5-7-13)18(26)22-14-8-9-15(23-19(14)27-2)25-10-20-21-11-25/h3-11H,1-2H3,(H,22,26)
InChIKeyCSHLEYCIDAXVMS-UHFFFAOYSA-N
XLogP2.89
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108561) is N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-n2cnnc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is CSHLEYCIDAXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-12-16(17(24-28-12)13-6-4-3-5-7-13)18(26)22-14-8-9-15(23-19(14)27-2)25-10-20-21-11-25/h3-11H,1-2H3,(H,22,26).
What are the key properties of N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-6-(1,2,4-triazol-4-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).