5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide

C18H22ClN3O2 — CID 22431938

IUPAC5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C18H22ClN3O2/c19-15-11-7-6-8-13(15)12-16-21-22-18(24-16)17(23)20-14-9-4-2-1-3-5-10-14/h6-8,11,14H,1-5,9-10,12H2,(H,20,23)
InChIKeyBRPDPSBQTNFHDV-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.16
Rot. Bonds4

About 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide

5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431938) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431938
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C18H22ClN3O2/c19-15-11-7-6-8-13(15)12-16-21-22-18(24-16)17(23)20-14-9-4-2-1-3-5-10-14/h6-8,11,14H,1-5,9-10,12H2,(H,20,23)
InChIKeyBRPDPSBQTNFHDV-UHFFFAOYSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431946
N-cyclohexyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431707
N-cyclopentyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431706
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137769
5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
CID 110391563
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
5-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide
CID 17321697

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide (CID 22431938) is 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide is O=C(NC1CCCCCCC1)c1nnc(Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BRPDPSBQTNFHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-15-11-7-6-8-13(15)12-16-21-22-18(24-16)17(23)20-14-9-4-2-1-3-5-10-14/h6-8,11,14H,1-5,9-10,12H2,(H,20,23).
What are the key properties of 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).