1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C13H15N5O — CID 167764183

IUPAC1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C13H15N5O/c1-8(14-2)5-12-16-13(19-18-12)9-3-4-11-10(6-9)7-15-17-11/h3-4,6-8,14H,5H2,1-2H3,(H,15,17)
InChIKeyACLBUFMLFQZVGZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.76
Rot. Bonds4

About 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 167764183) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID167764183
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C13H15N5O/c1-8(14-2)5-12-16-13(19-18-12)9-3-4-11-10(6-9)7-15-17-11/h3-4,6-8,14H,5H2,1-2H3,(H,15,17)
InChIKeyACLBUFMLFQZVGZ-UHFFFAOYSA-N
XLogP1.76
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 167764183) is 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is ACLBUFMLFQZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8(14-2)5-12-16-13(19-18-12)9-3-4-11-10(6-9)7-15-17-11/h3-4,6-8,14H,5H2,1-2H3,(H,15,17).
What are the key properties of 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 167764183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).