5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C15H15N3OS — CID 63615796

IUPAC5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccccc3C)no2)c(N)s1
InChIInChI=1S/C15H15N3OS/c1-3-10-8-12(13(16)20-10)15-17-14(18-19-15)11-7-5-4-6-9(11)2/h4-8H,3,16H2,1-2H3
InChIKeyDRKHCVQCOHGKMU-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.92
Rot. Bonds3

About 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 63615796) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID63615796
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccccc3C)no2)c(N)s1
InChIInChI=1S/C15H15N3OS/c1-3-10-8-12(13(16)20-10)15-17-14(18-19-15)11-7-5-4-6-9(11)2/h4-8H,3,16H2,1-2H3
InChIKeyDRKHCVQCOHGKMU-UHFFFAOYSA-N
XLogP3.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 136990328
5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65196364
5-ethyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63614847
4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373
5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 115528772
5-ethyl-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372920
5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799523
5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine
CID 63615167
5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631981
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62786736
2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43331560
3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79390914

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 63615796) is 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CCc1cc(-c2nc(-c3ccccc3C)no2)c(N)s1.
What is the InChIKey of 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is DRKHCVQCOHGKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-10-8-12(13(16)20-10)15-17-14(18-19-15)11-7-5-4-6-9(11)2/h4-8H,3,16H2,1-2H3.
What are the key properties of 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 63615796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).