3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

C12H14FN3O2S — CID 66071088

IUPAC3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(CSc2cccc(F)c2)no1
InChIInChI=1S/C12H14FN3O2S/c1-17-6-5-14-12-15-11(16-18-12)8-19-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,15,16)
InChIKeySTRRQRZKDDWLKZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.56
Rot. Bonds7

About 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 66071088) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID66071088
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(CSc2cccc(F)c2)no1
InChIInChI=1S/C12H14FN3O2S/c1-17-6-5-14-12-15-11(16-18-12)8-19-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,15,16)
InChIKeySTRRQRZKDDWLKZ-UHFFFAOYSA-N
XLogP2.56
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66070877
3-[(2-bromophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 66144299
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65143451
N-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 66068042
N-ethyl-1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66073373
3-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 63036885
3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 62596316
3-[(3-chlorophenyl)sulfanylmethyl]-N-ethyl-1,2,4-oxadiazol-5-amine
CID 66148538
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]aniline
CID 66067659
3-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106525633
2-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 106525636

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 66071088) is 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(CSc2cccc(F)c2)no1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is STRRQRZKDDWLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-17-6-5-14-12-15-11(16-18-12)8-19-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,15,16).
What are the key properties of 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 283.33 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 66071088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).