N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide

C15H17FN4O2S — CID 9286105

IUPACN-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)Cn1nc(-c2ccc(F)cc2)oc1=S
InChIInChI=1S/C15H17FN4O2S/c1-19(8-13(21)17-12-6-7-12)9-20-15(23)22-14(18-20)10-2-4-11(16)5-3-10/h2-5,12H,6-9H2,1H3,(H,17,21)
InChIKeyMCJOEWLEURLTQB-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.18
Rot. Bonds6

About N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide

N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide (PubChem CID 9286105) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide
PubChem CID9286105
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)Cn1nc(-c2ccc(F)cc2)oc1=S
InChIInChI=1S/C15H17FN4O2S/c1-19(8-13(21)17-12-6-7-12)9-20-15(23)22-14(18-20)10-2-4-11(16)5-3-10/h2-5,12H,6-9H2,1H3,(H,17,21)
InChIKeyMCJOEWLEURLTQB-UHFFFAOYSA-N
XLogP2.18
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide
CID 9286192
2-[4-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
CID 9282178
2-[4-[[5-(4-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 9282014
N-tert-butyl-2-[[5-(3,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide
CID 9280916
3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thione
CID 139228039
N-(cyclopentylcarbamoyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27040105
N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323312
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359
N-[(1S,2R)-2-methylcyclohexyl]-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
CID 126169040
N-cyclopropyl-2-[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]acetamide
CID 9286183
2-[[3,4-bis(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 51960875
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272981

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide (CID 9286105) is N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide is CN(CC(=O)NC1CC1)Cn1nc(-c2ccc(F)cc2)oc1=S.
What is the InChIKey of N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide?
The InChIKey is MCJOEWLEURLTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-19(8-13(21)17-12-6-7-12)9-20-15(23)22-14(18-20)10-2-4-11(16)5-3-10/h2-5,12H,6-9H2,1H3,(H,17,21).
What are the key properties of N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide?
N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 9286105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).