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

C17H21N3O2S — CID 866874

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)NC1CCCCC1
InChIInChI=1S/C17H21N3O2S/c21-15(18-14-9-5-2-6-10-14)12-23-17-20-19-16(22-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,21)
InChIKeyDMROAUYCCWZFMM-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.20
Rot. Bonds6

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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 866874) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
PubChem CID866874
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)NC1CCCCC1
InChIInChI=1S/C17H21N3O2S/c21-15(18-14-9-5-2-6-10-14)12-23-17-20-19-16(22-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,21)
InChIKeyDMROAUYCCWZFMM-UHFFFAOYSA-N
XLogP3.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide (CID 866874) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide is O=C(CSc1nnc(Cc2ccccc2)o1)NC1CCCCC1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide?
The InChIKey is DMROAUYCCWZFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-15(18-14-9-5-2-6-10-14)12-23-17-20-19-16(22-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,21).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 331.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 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-cyclohexylacetamide is sourced from PubChem (CID 866874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).