2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C13H14FN3O2S — CID 94806127

IUPAC2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(NC(=O)CS[C@H](C)c2ccccc2F)n1
InChIInChI=1S/C13H14FN3O2S/c1-8(10-5-3-4-6-11(10)14)20-7-12(18)16-13-15-9(2)17-19-13/h3-6,8H,7H2,1-2H3,(H,15,16,17,18)/t8-/m1/s1
InChIKeyYQQUZFQRWKCOLP-MRVPVSSYSA-N
MW295.34 g/mol
LogP2.95
Rot. Bonds5

About 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 94806127) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID94806127
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(NC(=O)CS[C@H](C)c2ccccc2F)n1
InChIInChI=1S/C13H14FN3O2S/c1-8(10-5-3-4-6-11(10)14)20-7-12(18)16-13-15-9(2)17-19-13/h3-6,8H,7H2,1-2H3,(H,15,16,17,18)/t8-/m1/s1
InChIKeyYQQUZFQRWKCOLP-MRVPVSSYSA-N
XLogP2.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 94806127) is 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is Cc1noc(NC(=O)CS[C@H](C)c2ccccc2F)n1.
What is the InChIKey of 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is YQQUZFQRWKCOLP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8(10-5-3-4-6-11(10)14)20-7-12(18)16-13-15-9(2)17-19-13/h3-6,8H,7H2,1-2H3,(H,15,16,17,18)/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 94806127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).