2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline

C15H15N3OS — CID 43678243

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1noc(-c2ccccc2NC(C)c2cccs2)n1
InChIInChI=1S/C15H15N3OS/c1-10(14-8-5-9-20-14)16-13-7-4-3-6-12(13)15-17-11(2)18-19-15/h3-10,16H,1-2H3
InChIKeyWXWYEVVPRQMDBW-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.28
Rot. Bonds4

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43678243) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43678243
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1noc(-c2ccccc2NC(C)c2cccs2)n1
InChIInChI=1S/C15H15N3OS/c1-10(14-8-5-9-20-14)16-13-7-4-3-6-12(13)15-17-11(2)18-19-15/h3-10,16H,1-2H3
InChIKeyWXWYEVVPRQMDBW-UHFFFAOYSA-N
XLogP4.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-difluoropropan-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 102868329
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43678210
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpentan-3-yl)aniline
CID 43779863
N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678235
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441440
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 64752123
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]propane-1,2-diol
CID 168593514
N-[(1-ethylpyrrol-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 66400103
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline (CID 43678243) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline is Cc1noc(-c2ccccc2NC(C)c2cccs2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is WXWYEVVPRQMDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10(14-8-5-9-20-14)16-13-7-4-3-6-12(13)15-17-11(2)18-19-15/h3-10,16H,1-2H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 285.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43678243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).