2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide

C19H24ClN3O3S — CID 112796133

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)NCCCOC1CCCCC1
InChIInChI=1S/C19H24ClN3O3S/c20-16-10-5-4-9-15(16)18-22-23-19(26-18)27-13-17(24)21-11-6-12-25-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,21,24)
InChIKeyNUBUZUITOXGJKJ-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.34
Rot. Bonds9

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

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 112796133) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID112796133
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)NCCCOC1CCCCC1
InChIInChI=1S/C19H24ClN3O3S/c20-16-10-5-4-9-15(16)18-22-23-19(26-18)27-13-17(24)21-11-6-12-25-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,21,24)
InChIKeyNUBUZUITOXGJKJ-UHFFFAOYSA-N
XLogP4.34
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 78846287
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 112802223
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 9165636
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[cyclopentyl(phenyl)methyl]acetamide
CID 112837508
ethyl 2-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate
CID 3856127
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9165928
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 125042615
N-(2-adamantyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4520175
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304194
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 78829223
cyclohexyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859802

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide (CID 112796133) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide is O=C(CSc1nnc(-c2ccccc2Cl)o1)NCCCOC1CCCCC1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is NUBUZUITOXGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c20-16-10-5-4-9-15(16)18-22-23-19(26-18)27-13-17(24)21-11-6-12-25-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,21,24).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 409.94 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 112796133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).