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

C15H21N3O — CID 55067619

IUPAC3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(Cc2cccc(C)c2)n1
InChIInChI=1S/C15H21N3O/c1-4-15(16,5-2)14-17-13(19-18-14)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10,16H2,1-3H3
InChIKeyYGVKGTWAPPWNAX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds5

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

3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 55067619) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID55067619
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(Cc2cccc(C)c2)n1
InChIInChI=1S/C15H21N3O/c1-4-15(16,5-2)14-17-13(19-18-14)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10,16H2,1-3H3
InChIKeyYGVKGTWAPPWNAX-UHFFFAOYSA-N
XLogP2.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505
(2S)-2-amino-3-methyl-3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 70020571
1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanone
CID 115078790
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 62387381
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636885
3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326318
1-amino-2-methyl-3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 66001988
1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634676
2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354499
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637393
3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62505441
3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
CID 61325891

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 55067619) is 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(Cc2cccc(C)c2)n1.
What is the InChIKey of 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is YGVKGTWAPPWNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-15(16,5-2)14-17-13(19-18-14)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10,16H2,1-3H3.
What are the key properties of 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 259.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 55067619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).