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

C14H19N3O — CID 61326505

IUPAC3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C14H19N3O/c1-4-14(15,5-2)13-16-12(18-17-13)11-8-6-7-10(3)9-11/h6-9H,4-5,15H2,1-3H3
InChIKeyJSSSMKKXJLIQQN-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.02
Rot. Bonds4

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

3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 61326505) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID61326505
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C14H19N3O/c1-4-14(15,5-2)13-16-12(18-17-13)11-8-6-7-10(3)9-11/h6-9H,4-5,15H2,1-3H3
InChIKeyJSSSMKKXJLIQQN-UHFFFAOYSA-N
XLogP3.02
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324868
3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326318
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 55067619
3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326088
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61325906
3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62505441
3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 113452939
3-(4,4-dimethylpentyl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 59395695
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326504
1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 10375609
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326086

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 61326505) is 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2cccc(C)c2)n1.
What is the InChIKey of 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is JSSSMKKXJLIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-14(15,5-2)13-16-12(18-17-13)11-8-6-7-10(3)9-11/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 245.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 61326505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).