2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide

C19H23N3O2S — CID 8004542

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnc(Cc2ccccc2)o1)C1=CCCCC1
InChIInChI=1S/C19H23N3O2S/c1-2-22(16-11-7-4-8-12-16)18(23)14-25-19-21-20-17(24-19)13-15-9-5-3-6-10-15/h3,5-6,9-11H,2,4,7-8,12-14H2,1H3
InChIKeyIFFUZIKXSFZTGI-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.06
Rot. Bonds7

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 8004542) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID8004542
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnc(Cc2ccccc2)o1)C1=CCCCC1
InChIInChI=1S/C19H23N3O2S/c1-2-22(16-11-7-4-8-12-16)18(23)14-25-19-21-20-17(24-19)13-15-9-5-3-6-10-15/h3,5-6,9-11H,2,4,7-8,12-14H2,1H3
InChIKeyIFFUZIKXSFZTGI-UHFFFAOYSA-N
XLogP4.06
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135675705
ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 53265037
N-benzyl-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 30926955
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41131813
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 7994747
N-(cyclohexen-1-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide
CID 46672760
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 54911180
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 2941372
N-(cyclohexen-1-yl)-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide
CID 8522873
N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46685476
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7994631
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 854782

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 8004542) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CSc1nnc(Cc2ccccc2)o1)C1=CCCCC1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is IFFUZIKXSFZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-22(16-11-7-4-8-12-16)18(23)14-25-19-21-20-17(24-19)13-15-9-5-3-6-10-15/h3,5-6,9-11H,2,4,7-8,12-14H2,1H3.
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 357.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 8004542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).