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

C15H21N3O — CID 104685809

IUPAC4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(CCCN)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-12(6-5-11-16)15-17-14(18-19-15)10-9-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,16H2,1H3
InChIKeyPSCANSPXDTZNFL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.70
Rot. Bonds7

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

4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104685809) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104685809
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(CCCN)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-12(6-5-11-16)15-17-14(18-19-15)10-9-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,16H2,1H3
InChIKeyPSCANSPXDTZNFL-UHFFFAOYSA-N
XLogP2.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104685809) is 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(CCCN)c1nc(CCc2ccccc2)no1.
What is the InChIKey of 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is PSCANSPXDTZNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(6-5-11-16)15-17-14(18-19-15)10-9-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,16H2,1H3.
What are the key properties of 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104685809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).