4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

C21H18N8O — CID 72946854

IUPAC4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4cn[nH]c4C)ccn3)cc2)n1
InChIInChI=1S/C21H18N8O/c1-13-18(10-24-26-13)19-11-30-28-21(19)15-7-8-22-20(9-15)25-16-3-5-17(6-4-16)29-12-23-14(2)27-29/h3-12H,1-2H3,(H,22,25)(H,24,26)
InChIKeySNAKELXBWICEIB-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.07
Rot. Bonds5

About 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 72946854) has the molecular formula C21H18N8O and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
PubChem CID72946854
Molecular FormulaC21H18N8O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4cn[nH]c4C)ccn3)cc2)n1
InChIInChI=1S/C21H18N8O/c1-13-18(10-24-26-13)19-11-30-28-21(19)15-7-8-22-20(9-15)25-16-3-5-17(6-4-16)29-12-23-14(2)27-29/h3-12H,1-2H3,(H,22,25)(H,24,26)
InChIKeySNAKELXBWICEIB-UHFFFAOYSA-N
XLogP4.07
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (CID 72946854) is 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is Cc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4cn[nH]c4C)ccn3)cc2)n1.
What is the InChIKey of 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is SNAKELXBWICEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O/c1-13-18(10-24-26-13)19-11-30-28-21(19)15-7-8-22-20(9-15)25-16-3-5-17(6-4-16)29-12-23-14(2)27-29/h3-12H,1-2H3,(H,22,25)(H,24,26).
What are the key properties of 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 398.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 72946854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).