5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole

C13H15FN2O2S — CID 60540937

IUPAC5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1CSC(C)c1nc(C)no1
InChIInChI=1S/C13H15FN2O2S/c1-8(13-15-9(2)16-18-13)19-7-10-6-11(14)4-5-12(10)17-3/h4-6,8H,7H2,1-3H3
InChIKeyQZBFTRGQMHCXEX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.52
Rot. Bonds5

About 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 60540937) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID60540937
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1CSC(C)c1nc(C)no1
InChIInChI=1S/C13H15FN2O2S/c1-8(13-15-9(2)16-18-13)19-7-10-6-11(14)4-5-12(10)17-3/h4-6,8H,7H2,1-3H3
InChIKeyQZBFTRGQMHCXEX-UHFFFAOYSA-N
XLogP3.52
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60541049
5-[(1S)-1-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95761662
3-methoxy-4-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]benzonitrile
CID 97331065
5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 95330475
(2R)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N,N-dimethylpropanamide
CID 95601576
1-[5-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 107701061
5-[(1R)-1-[(5-ethoxy-2-pyridinyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 97228289
5-[(1R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95159071
N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 75434086
6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 94644518
3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 75399494

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 60540937) is 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole is COc1ccc(F)cc1CSC(C)c1nc(C)no1.
What is the InChIKey of 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is QZBFTRGQMHCXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-8(13-15-9(2)16-18-13)19-7-10-6-11(14)4-5-12(10)17-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 282.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 60540937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).