3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C15H21N3O — CID 65222594

IUPAC3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(C)C(CN)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-11(2)13(10-16)15-17-14(18-19-15)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3
InChIKeyPPZPLQWHEHQDDB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.55
Rot. Bonds6

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

3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 65222594) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID65222594
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(C)C(CN)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-11(2)13(10-16)15-17-14(18-19-15)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3
InChIKeyPPZPLQWHEHQDDB-UHFFFAOYSA-N
XLogP2.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13738
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Slf1081851
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3-Phenyl-5-(beta-diethylaminoethyl)-1,2,4-oxadiazole hydrochloride
CID 14637
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
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CID 4976390
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3157458
4-(3-Benzyl-1,2,4-oxadiazol-5-yl)piperidine
CID 41541757
3-[3-[(4-Nonylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 168269823

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 65222594) is 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CC(C)C(CN)c1nc(CCc2ccccc2)no1.
What is the InChIKey of 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is PPZPLQWHEHQDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)13(10-16)15-17-14(18-19-15)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3.
What are the key properties of 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 65222594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).