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

C13H17N3O — CID 61325235

IUPAC2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1cccc(-c2nc(C(N)C(C)C)no2)c1
InChIInChI=1S/C13H17N3O/c1-8(2)11(14)12-15-13(17-16-12)10-6-4-5-9(3)7-10/h4-8,11H,14H2,1-3H3
InChIKeyJNFQVEDRSRZRFD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.70
Rot. Bonds3

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

2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 61325235) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID61325235
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1cccc(-c2nc(C(N)C(C)C)no2)c1
InChIInChI=1S/C13H17N3O/c1-8(2)11(14)12-15-13(17-16-12)10-6-4-5-9(3)7-10/h4-8,11H,14H2,1-3H3
InChIKeyJNFQVEDRSRZRFD-UHFFFAOYSA-N
XLogP2.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 61325235) is 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is Cc1cccc(-c2nc(C(N)C(C)C)no2)c1.
What is the InChIKey of 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is JNFQVEDRSRZRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)11(14)12-15-13(17-16-12)10-6-4-5-9(3)7-10/h4-8,11H,14H2,1-3H3.
What are the key properties of 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 61325235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).