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

C15H15N3O2S — CID 43514782

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCOc1ccc(-c2noc(-c3c(N)sc(C)c3C)n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-8-9(2)21-13(16)12(8)15-17-14(18-20-15)10-4-6-11(19-3)7-5-10/h4-7H,16H2,1-3H3
InChIKeyNLOKTIYEIIVJKW-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.67
Rot. Bonds3

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

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (PubChem CID 43514782) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
PubChem CID43514782
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCOc1ccc(-c2noc(-c3c(N)sc(C)c3C)n2)cc1
InChIInChI=1S/C15H15N3O2S/c1-8-9(2)21-13(16)12(8)15-17-14(18-20-15)10-4-6-11(19-3)7-5-10/h4-7H,16H2,1-3H3
InChIKeyNLOKTIYEIIVJKW-UHFFFAOYSA-N
XLogP3.67
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43109078
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617032
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787593
4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 23010417
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826974
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912387
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (CID 43514782) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is COc1ccc(-c2noc(-c3c(N)sc(C)c3C)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The InChIKey is NLOKTIYEIIVJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-8-9(2)21-13(16)12(8)15-17-14(18-20-15)10-4-6-11(19-3)7-5-10/h4-7H,16H2,1-3H3.
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine has a molecular weight of 301.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 43514782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).