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

C14H19N3O — CID 62653872

IUPAC2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1ccccc1CCc1nc(C(C)CN)no1
InChIInChI=1S/C14H19N3O/c1-10-5-3-4-6-12(10)7-8-13-16-14(17-18-13)11(2)9-15/h3-6,11H,7-9,15H2,1-2H3
InChIKeyXOPHYKGHPGGSRO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.23
Rot. Bonds5

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

2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62653872) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62653872
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1ccccc1CCc1nc(C(C)CN)no1
InChIInChI=1S/C14H19N3O/c1-10-5-3-4-6-12(10)7-8-13-16-14(17-18-13)11(2)9-15/h3-6,11H,7-9,15H2,1-2H3
InChIKeyXOPHYKGHPGGSRO-UHFFFAOYSA-N
XLogP2.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62653872) is 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine is Cc1ccccc1CCc1nc(C(C)CN)no1.
What is the InChIKey of 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XOPHYKGHPGGSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-5-3-4-6-12(10)7-8-13-16-14(17-18-13)11(2)9-15/h3-6,11H,7-9,15H2,1-2H3.
What are the key properties of 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62653872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).