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

C20H16N8O — CID 72947058

IUPACN-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4ccn[nH]4)ccn3)cc2)n1
InChIInChI=1S/C20H16N8O/c1-13-22-12-28(26-13)16-4-2-15(3-5-16)24-19-10-14(6-8-21-19)20-17(11-29-27-20)18-7-9-23-25-18/h2-12H,1H3,(H,21,24)(H,23,25)
InChIKeyIMELNYJZDCCKFI-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.76
Rot. Bonds5

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

N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine (PubChem CID 72947058) has the molecular formula C20H16N8O and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine
PubChem CID72947058
Molecular FormulaC20H16N8O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC NameN-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4ccn[nH]4)ccn3)cc2)n1
InChIInChI=1S/C20H16N8O/c1-13-22-12-28(26-13)16-4-2-15(3-5-16)24-19-10-14(6-8-21-19)20-17(11-29-27-20)18-7-9-23-25-18/h2-12H,1H3,(H,21,24)(H,23,25)
InChIKeyIMELNYJZDCCKFI-UHFFFAOYSA-N
XLogP3.76
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine?
The IUPAC name of N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine (CID 72947058) is N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine is Cc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4ccn[nH]4)ccn3)cc2)n1.
What is the InChIKey of N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine?
The InChIKey is IMELNYJZDCCKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O/c1-13-22-12-28(26-13)16-4-2-15(3-5-16)24-19-10-14(6-8-21-19)20-17(11-29-27-20)18-7-9-23-25-18/h2-12H,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine?
N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine has a molecular weight of 384.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-[4-(1H-pyrazol-5-yl)-1,2-oxazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 72947058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).