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

C12H15N3O — CID 62651517

IUPAC2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1cccc(-c2nc(C(C)CN)no2)c1
InChIInChI=1S/C12H15N3O/c1-8-4-3-5-10(6-8)12-14-11(15-16-12)9(2)7-13/h3-6,9H,7,13H2,1-2H3
InChIKeyMIUAJSYAYKXBSS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.11
Rot. Bonds3

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

2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62651517) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62651517
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1cccc(-c2nc(C(C)CN)no2)c1
InChIInChI=1S/C12H15N3O/c1-8-4-3-5-10(6-8)12-14-11(15-16-12)9(2)7-13/h3-6,9H,7,13H2,1-2H3
InChIKeyMIUAJSYAYKXBSS-UHFFFAOYSA-N
XLogP2.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62651517) is 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is Cc1cccc(-c2nc(C(C)CN)no2)c1.
What is the InChIKey of 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is MIUAJSYAYKXBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-4-3-5-10(6-8)12-14-11(15-16-12)9(2)7-13/h3-6,9H,7,13H2,1-2H3.
What are the key properties of 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 217.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62651517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).