5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide

C14H16ClN3O2 — CID 110391277

IUPAC5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCCCNC(=O)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C14H16ClN3O2/c1-2-3-6-9-16-12(19)14-18-17-13(20-14)10-7-4-5-8-11(10)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,19)
InChIKeyAVAMVSWWLLFXNF-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.31
Rot. Bonds6

About 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide

5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391277) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391277
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCCCNC(=O)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C14H16ClN3O2/c1-2-3-6-9-16-12(19)14-18-17-13(20-14)10-7-4-5-8-11(10)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,19)
InChIKeyAVAMVSWWLLFXNF-UHFFFAOYSA-N
XLogP3.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.31
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

N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide
CID 110391269
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
2-chloro-N-undecylbenzamide
CID 3373978
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391348
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110334461

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide (CID 110391277) is 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide is CCCCCNC(=O)c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is AVAMVSWWLLFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-3-6-9-16-12(19)14-18-17-13(20-14)10-7-4-5-8-11(10)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,19).
What are the key properties of 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide?
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).