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

C21H20N6O3 — CID 166108571

IUPACN-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2nnn(C)c2C)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H20N6O3/c1-12-18(24-26-27(12)3)15-10-11-16(21(23-15)29-4)22-20(28)17-13(2)30-25-19(17)14-8-6-5-7-9-14/h5-11H,1-4H3,(H,22,28)
InChIKeyDKRBEUZXVQMSOK-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.41
Rot. Bonds5

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

N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108571) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108571
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2nnn(C)c2C)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H20N6O3/c1-12-18(24-26-27(12)3)15-10-11-16(21(23-15)29-4)22-20(28)17-13(2)30-25-19(17)14-8-6-5-7-9-14/h5-11H,1-4H3,(H,22,28)
InChIKeyDKRBEUZXVQMSOK-UHFFFAOYSA-N
XLogP3.41
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108571) is N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2nnn(C)c2C)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DKRBEUZXVQMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-12-18(24-26-27(12)3)15-10-11-16(21(23-15)29-4)22-20(28)17-13(2)30-25-19(17)14-8-6-5-7-9-14/h5-11H,1-4H3,(H,22,28).
What are the key properties of N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,5-dimethyltriazol-4-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).