2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C14H16FN3O2S — CID 97221732

IUPAC2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(CS[C@H](C)c2cccc(F)c2)n1
InChIInChI=1S/C14H16FN3O2S/c1-9(10-4-3-5-11(15)6-10)21-8-14-17-12(18-20-14)7-13(19)16-2/h3-6,9H,7-8H2,1-2H3,(H,16,19)/t9-/m1/s1
InChIKeyAXZVUCHOFMUHCK-SECBINFHSA-N
MW309.37 g/mol
LogP2.49
Rot. Bonds6

About 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 97221732) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID97221732
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(CS[C@H](C)c2cccc(F)c2)n1
InChIInChI=1S/C14H16FN3O2S/c1-9(10-4-3-5-11(15)6-10)21-8-14-17-12(18-20-14)7-13(19)16-2/h3-6,9H,7-8H2,1-2H3,(H,16,19)/t9-/m1/s1
InChIKeyAXZVUCHOFMUHCK-SECBINFHSA-N
XLogP2.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
2-(3-fluorophenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 71986954
N-carbamoyl-3-[(1S)-1-(3-fluorophenyl)ethyl]sulfanylpropanamide
CID 94193105
N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 71852002
N-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66069962
3-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106525633
1-cyclopropyl-2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 66070680
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100754453
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 96559452
methyl (2R)-2-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoate
CID 96563554
N-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 66068042
1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
CID 64665733

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 97221732) is 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(CS[C@H](C)c2cccc(F)c2)n1.
What is the InChIKey of 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is AXZVUCHOFMUHCK-SECBINFHSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-9(10-4-3-5-11(15)6-10)21-8-14-17-12(18-20-14)7-13(19)16-2/h3-6,9H,7-8H2,1-2H3,(H,16,19)/t9-/m1/s1.
What are the key properties of 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 309.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 97221732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).