5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide

C18H19ClFN3O2 — CID 23004471

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1nnc(Cc2c(F)cccc2Cl)o1
InChIInChI=1S/C18H19ClFN3O2/c19-14-7-4-8-15(20)13(14)11-16-22-23-18(25-16)17(24)21-10-9-12-5-2-1-3-6-12/h4-5,7-8H,1-3,6,9-11H2,(H,21,24)
InChIKeyNNLQGMLZUWRJPV-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.07
Rot. Bonds6

About 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide

5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 23004471) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID23004471
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1nnc(Cc2c(F)cccc2Cl)o1
InChIInChI=1S/C18H19ClFN3O2/c19-14-7-4-8-15(20)13(14)11-16-22-23-18(25-16)17(24)21-10-9-12-5-2-1-3-6-12/h4-5,7-8H,1-3,6,9-11H2,(H,21,24)
InChIKeyNNLQGMLZUWRJPV-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392233
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide
CID 23004473
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095616
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986
2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107487272
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431940

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide (CID 23004471) is 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCCC1=CCCCC1)c1nnc(Cc2c(F)cccc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is NNLQGMLZUWRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c19-14-7-4-8-15(20)13(14)11-16-22-23-18(25-16)17(24)21-10-9-12-5-2-1-3-6-12/h4-5,7-8H,1-3,6,9-11H2,(H,21,24).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 23004471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).