5-pentyl-3-phenyl-1,2,4-oxadiazole

C13H16N2O — CID 19658049

IUPAC5-pentyl-3-phenyl-1,2,4-oxadiazole
SMILESCCCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H16N2O/c1-2-3-5-10-12-14-13(15-16-12)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKeyHSAFUOMYPSLFOV-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.47
Rot. Bonds5

About 5-pentyl-3-phenyl-1,2,4-oxadiazole

5-pentyl-3-phenyl-1,2,4-oxadiazole (PubChem CID 19658049) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-pentyl-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pentyl-3-phenyl-1,2,4-oxadiazole
PubChem CID19658049
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-pentyl-3-phenyl-1,2,4-oxadiazole
SMILESCCCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H16N2O/c1-2-3-5-10-12-14-13(15-16-12)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKeyHSAFUOMYPSLFOV-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
5-(butylsulfonylmethyl)-3-phenyl-1,2,4-oxadiazole
CID 78876864
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114
5-[(4-octylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
CID 155566908
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 122215897
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pentyl]isoindole-1,3-dione
CID 2231979
3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
CID 2995458

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-pentyl-3-phenyl-1,2,4-oxadiazole (CID 19658049) is 5-pentyl-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-pentyl-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-pentyl-3-phenyl-1,2,4-oxadiazole is CCCCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-pentyl-3-phenyl-1,2,4-oxadiazole?
The InChIKey is HSAFUOMYPSLFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-5-10-12-14-13(15-16-12)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3.
What are the key properties of 5-pentyl-3-phenyl-1,2,4-oxadiazole?
5-pentyl-3-phenyl-1,2,4-oxadiazole has a molecular weight of 216.28 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19658049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).