2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine

C14H12FN3O2S — CID 107922400

IUPAC2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
SMILESCOc1cc(-c2noc(-c3scc(C)c3N)n2)ccc1F
InChIInChI=1S/C14H12FN3O2S/c1-7-6-21-12(11(7)16)14-17-13(18-20-14)8-3-4-9(15)10(5-8)19-2/h3-6H,16H2,1-2H3
InChIKeyIWSGMGJHUADOKX-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.50
Rot. Bonds3

About 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine

2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine (PubChem CID 107922400) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
PubChem CID107922400
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
SMILESCOc1cc(-c2noc(-c3scc(C)c3N)n2)ccc1F
InChIInChI=1S/C14H12FN3O2S/c1-7-6-21-12(11(7)16)14-17-13(18-20-14)8-3-4-9(15)10(5-8)19-2/h3-6H,16H2,1-2H3
InChIKeyIWSGMGJHUADOKX-UHFFFAOYSA-N
XLogP3.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 106818882
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 107922497
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 60929614
1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107922402
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 136531294
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107922483
2-amino-1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114016203
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700997
3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 107923162
3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole
CID 99639331

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The IUPAC name of 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine (CID 107922400) is 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine.
What is the SMILES notation for 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The canonical SMILES for 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine is COc1cc(-c2noc(-c3scc(C)c3N)n2)ccc1F.
What is the InChIKey of 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The InChIKey is IWSGMGJHUADOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-7-6-21-12(11(7)16)14-17-13(18-20-14)8-3-4-9(15)10(5-8)19-2/h3-6H,16H2,1-2H3.
What are the key properties of 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine has a molecular weight of 305.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine is sourced from PubChem (CID 107922400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).