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

C14H19N3O — CID 4962373

IUPAC5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCc1ccc(-c2noc(CCCCCN)n2)cc1
InChIInChI=1S/C14H19N3O/c1-11-6-8-12(9-7-11)14-16-13(18-17-14)5-3-2-4-10-15/h6-9H,2-5,10,15H2,1H3
InChIKeyVDIWNKCHXGYWFK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.72
Rot. Bonds6

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

5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 4962373) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID4962373
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCc1ccc(-c2noc(CCCCCN)n2)cc1
InChIInChI=1S/C14H19N3O/c1-11-6-8-12(9-7-11)14-16-13(18-17-14)5-3-2-4-10-15/h6-9H,2-5,10,15H2,1H3
InChIKeyVDIWNKCHXGYWFK-UHFFFAOYSA-N
XLogP2.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 4962373) is 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is Cc1ccc(-c2noc(CCCCCN)n2)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is VDIWNKCHXGYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-6-8-12(9-7-11)14-16-13(18-17-14)5-3-2-4-10-15/h6-9H,2-5,10,15H2,1H3.
What are the key properties of 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 4962373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).