3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide

C19H26ClN3O2 — CID 18859405

IUPAC3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
SMILESCCCCCCCCNC(=O)CCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H26ClN3O2/c1-2-3-4-5-6-9-14-21-17(24)12-13-18-22-23-19(25-18)15-10-7-8-11-16(15)20/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,21,24)
InChIKeyRPIGCHREEAOFCP-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.80
Rot. Bonds11

About 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide

3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide (PubChem CID 18859405) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
PubChem CID18859405
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
SMILESCCCCCCCCNC(=O)CCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H26ClN3O2/c1-2-3-4-5-6-9-14-21-17(24)12-13-18-22-23-19(25-18)15-10-7-8-11-16(15)20/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,21,24)
InChIKeyRPIGCHREEAOFCP-UHFFFAOYSA-N
XLogP4.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110334461
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110334494
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330217
N-(3-chlorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334527
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropanamide
CID 110321512
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl hexanoate
CID 78759935
3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
CID 110321568
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110333794
methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334547
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide (CID 18859405) is 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide is CCCCCCCCNC(=O)CCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide?
The InChIKey is RPIGCHREEAOFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-2-3-4-5-6-9-14-21-17(24)12-13-18-22-23-19(25-18)15-10-7-8-11-16(15)20/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,21,24).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide?
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide has a molecular weight of 363.89 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide is sourced from PubChem (CID 18859405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).