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

C16H19N3O2S — CID 697199

IUPACN-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)NC1CCCCC1
InChIInChI=1S/C16H19N3O2S/c20-14(17-13-9-5-2-6-10-13)11-22-16-19-18-15(21-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,20)
InChIKeyNNHSDQAGVMPNHV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.28
Rot. Bonds5

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

N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 697199) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID697199
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)NC1CCCCC1
InChIInChI=1S/C16H19N3O2S/c20-14(17-13-9-5-2-6-10-13)11-22-16-19-18-15(21-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,20)
InChIKeyNNHSDQAGVMPNHV-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 697199) is N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccc2)o1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is NNHSDQAGVMPNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-14(17-13-9-5-2-6-10-13)11-22-16-19-18-15(21-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,20).
What are the key properties of N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 697199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).