3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C13H15N5O — CID 103121889

IUPAC3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCn1nc(-c2nc(CCCN)no2)c2ccccc21
InChIInChI=1S/C13H15N5O/c1-18-10-6-3-2-5-9(10)12(16-18)13-15-11(17-19-13)7-4-8-14/h2-3,5-6H,4,7-8,14H2,1H3
InChIKeyJAWOWXKVMHZYAK-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.51
Rot. Bonds4

About 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 103121889) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID103121889
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCn1nc(-c2nc(CCCN)no2)c2ccccc21
InChIInChI=1S/C13H15N5O/c1-18-10-6-3-2-5-9(10)12(16-18)13-15-11(17-19-13)7-4-8-14/h2-3,5-6H,4,7-8,14H2,1H3
InChIKeyJAWOWXKVMHZYAK-UHFFFAOYSA-N
XLogP1.51
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 103121889) is 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is Cn1nc(-c2nc(CCCN)no2)c2ccccc21.
What is the InChIKey of 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is JAWOWXKVMHZYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18-10-6-3-2-5-9(10)12(16-18)13-15-11(17-19-13)7-4-8-14/h2-3,5-6H,4,7-8,14H2,1H3.
What are the key properties of 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 103121889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).