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

C17H20FN3O2S — CID 3543122

IUPACN-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCN(C(=O)CSc1nnc(-c2ccccc2F)o1)C1CCCCC1
InChIInChI=1S/C17H20FN3O2S/c1-21(12-7-3-2-4-8-12)15(22)11-24-17-20-19-16(23-17)13-9-5-6-10-14(13)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyVVAURPYZJUQDPR-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.76
Rot. Bonds5

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

N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide (PubChem CID 3543122) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
PubChem CID3543122
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCN(C(=O)CSc1nnc(-c2ccccc2F)o1)C1CCCCC1
InChIInChI=1S/C17H20FN3O2S/c1-21(12-7-3-2-4-8-12)15(22)11-24-17-20-19-16(23-17)13-9-5-6-10-14(13)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyVVAURPYZJUQDPR-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide with MolForge

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Related Compounds

1-(2-((5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl)acetyl)piperidine-4-carboxylic acid
CID 2436027
N-Cyclohexyl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 648780
2-[[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 859806
N-Cyclopentyl-2-(5-m-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 861643
1-(Pyrrolidin-1-yl)-2-((5-(o-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 861657
2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 865292
N-Cyclopropyl-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 1433144
2-[[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155692
N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2595598
N-cyclopropyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7444376
N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7801686
2-[[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 24687785

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide (CID 3543122) is N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide is CN(C(=O)CSc1nnc(-c2ccccc2F)o1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The InChIKey is VVAURPYZJUQDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-21(12-7-3-2-4-8-12)15(22)11-24-17-20-19-16(23-17)13-9-5-6-10-14(13)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide has a molecular weight of 349.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 3543122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).