5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole

C25H38N2O — CID 165054074

IUPAC5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole
SMILESCCCCCCCCCCc1ccc(-c2noc(CC3CCCCC3)n2)cc1
InChIInChI=1S/C25H38N2O/c1-2-3-4-5-6-7-8-10-13-21-16-18-23(19-17-21)25-26-24(28-27-25)20-22-14-11-9-12-15-22/h16-19,22H,2-15,20H2,1H3
InChIKeyQCVJTSOIJRKUOW-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.54
Rot. Bonds12

About 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole

5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole (PubChem CID 165054074) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole
PubChem CID165054074
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole
SMILESCCCCCCCCCCc1ccc(-c2noc(CC3CCCCC3)n2)cc1
InChIInChI=1S/C25H38N2O/c1-2-3-4-5-6-7-8-10-13-21-16-18-23(19-17-21)25-26-24(28-27-25)20-22-14-11-9-12-15-22/h16-19,22H,2-15,20H2,1H3
InChIKeyQCVJTSOIJRKUOW-UHFFFAOYSA-N
XLogP7.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.54
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

5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
3-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 155012918
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azepane-2-carboxamide;hydrochloride
CID 170355364
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
5-[(3R)-pyrrolidin-3-yl]-3-(4-undecylphenyl)-1,2,4-oxadiazole
CID 154661001
3-(4-decylphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 155012950
5-ethyl-3-(4-octylphenyl)-1,2,4-oxadiazole;pyrrolidine-1-carboximidamide
CID 133081504
(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 170355224
(2S,3S)-N-[[3-(4-heptylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypyrrolidine-2-carboxamide
CID 45256740
3-(4-bromophenyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 2056306
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypropanamide
CID 170355360

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole (CID 165054074) is 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole is CCCCCCCCCCc1ccc(-c2noc(CC3CCCCC3)n2)cc1.
What is the InChIKey of 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole?
The InChIKey is QCVJTSOIJRKUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O/c1-2-3-4-5-6-7-8-10-13-21-16-18-23(19-17-21)25-26-24(28-27-25)20-22-14-11-9-12-15-22/h16-19,22H,2-15,20H2,1H3.
What are the key properties of 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole?
5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole has a molecular weight of 382.59 g/mol, XLogP of 7.54, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 165054074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).