cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C23H23N3O4S — CID 1143042

IUPACcyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESO=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)OC1CCCCC1
InChIInChI=1S/C23H23N3O4S/c27-20(29-17-11-5-2-6-12-17)15-31-23-26-25-22(30-23)18-13-7-8-14-19(18)24-21(28)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,24,28)
InChIKeySRHAHRLCEPIHRR-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.96
Rot. Bonds7

About cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 1143042) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID1143042
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Namecyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESO=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)OC1CCCCC1
InChIInChI=1S/C23H23N3O4S/c27-20(29-17-11-5-2-6-12-17)15-31-23-26-25-22(30-23)18-13-7-8-14-19(18)24-21(28)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,24,28)
InChIKeySRHAHRLCEPIHRR-UHFFFAOYSA-N
XLogP4.96
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 1143042) is cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is SRHAHRLCEPIHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c27-20(29-17-11-5-2-6-12-17)15-31-23-26-25-22(30-23)18-13-7-8-14-19(18)24-21(28)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,24,28).
What are the key properties of cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 437.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 1143042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).