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

C13H11N3OS — CID 104698799

IUPACN-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCNc1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C13H11N3OS/c1-14-10-6-4-9(5-7-10)13-15-12(16-17-13)11-3-2-8-18-11/h2-8,14H,1H3
InChIKeyFKBHUQVDHWFEAL-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.51
Rot. Bonds3

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

N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 104698799) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID104698799
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCNc1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C13H11N3OS/c1-14-10-6-4-9(5-7-10)13-15-12(16-17-13)11-3-2-8-18-11/h2-8,14H,1H3
InChIKeyFKBHUQVDHWFEAL-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 60837408
5-(6-ethylsulfanyl-3-pyridinyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 167949067
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698928
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline (CID 104698799) is N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline is CNc1ccc(-c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is FKBHUQVDHWFEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-14-10-6-4-9(5-7-10)13-15-12(16-17-13)11-3-2-8-18-11/h2-8,14H,1H3.
What are the key properties of N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline?
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 257.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 104698799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).