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

C15H21N3O — CID 61325906

IUPAC3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCc1ccc(-c2nc(C(N)(CC)CC)no2)cc1
InChIInChI=1S/C15H21N3O/c1-4-11-7-9-12(10-8-11)13-17-14(18-19-13)15(16,5-2)6-3/h7-10H,4-6,16H2,1-3H3
InChIKeyKHNVCIHHOWANSA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.27
Rot. Bonds5

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

3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 61325906) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID61325906
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCc1ccc(-c2nc(C(N)(CC)CC)no2)cc1
InChIInChI=1S/C15H21N3O/c1-4-11-7-9-12(10-8-11)13-17-14(18-19-13)15(16,5-2)6-3/h7-10H,4-6,16H2,1-3H3
InChIKeyKHNVCIHHOWANSA-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 61325906) is 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCc1ccc(-c2nc(C(N)(CC)CC)no2)cc1.
What is the InChIKey of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is KHNVCIHHOWANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-11-7-9-12(10-8-11)13-17-14(18-19-13)15(16,5-2)6-3/h7-10H,4-6,16H2,1-3H3.
What are the key properties of 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 259.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 61325906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).