3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole

C23H35ClN2O — CID 24848734

IUPAC3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
SMILESCCCCCCCCCCCCCCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H35ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-25-23(26-27-22)20-16-18-21(24)19-17-20/h16-19H,2-15H2,1H3
InChIKeyMYDCCRMLKLLOCU-UHFFFAOYSA-N
MW391.00 g/mol
LogP8.02
Rot. Bonds15

About 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole (PubChem CID 24848734) has the molecular formula C23H35ClN2O and a molecular weight of 391.00 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
PubChem CID24848734
Molecular FormulaC23H35ClN2O
Molecular Weight391.00 g/mol
Exact Mass390.24
IUPAC Name3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
SMILESCCCCCCCCCCCCCCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H35ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-25-23(26-27-22)20-16-18-21(24)19-17-20/h16-19H,2-15H2,1H3
InChIKeyMYDCCRMLKLLOCU-UHFFFAOYSA-N
XLogP8.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.00
LogP ≤ 58.02
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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethyl-2-pentylguanidine
CID 111554879
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106523544
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-pentylguanidine
CID 111612213
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
CID 7385191

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole (CID 24848734) is 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole is CCCCCCCCCCCCCCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole?
The InChIKey is MYDCCRMLKLLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-25-23(26-27-22)20-16-18-21(24)19-17-20/h16-19H,2-15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole has a molecular weight of 391.00 g/mol, XLogP of 8.02, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole is sourced from PubChem (CID 24848734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).