N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline

C15H20N4OS — CID 103594674

IUPACN-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCN1CCSCC1c1noc(CCNc2ccccc2)n1
InChIInChI=1S/C15H20N4OS/c1-19-9-10-21-11-13(19)15-17-14(20-18-15)7-8-16-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3
InChIKeyGKNIGXTVBJYKOZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline

N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (PubChem CID 103594674) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
PubChem CID103594674
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCN1CCSCC1c1noc(CCNc2ccccc2)n1
InChIInChI=1S/C15H20N4OS/c1-19-9-10-21-11-13(19)15-17-14(20-18-15)7-8-16-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3
InChIKeyGKNIGXTVBJYKOZ-UHFFFAOYSA-N
XLogP2.44
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 106446131
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 106446045
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 103594721
4-[3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 103594743
5-[chloro(phenyl)methyl]-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594663
4,4-dimethyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103594805
2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594958
5-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790083
1-methoxy-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 106446024
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305
3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 106445899

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The IUPAC name of N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (CID 103594674) is N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.
What is the SMILES notation for N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The canonical SMILES for N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is CN1CCSCC1c1noc(CCNc2ccccc2)n1.
What is the InChIKey of N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The InChIKey is GKNIGXTVBJYKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-19-9-10-21-11-13(19)15-17-14(20-18-15)7-8-16-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3.
What are the key properties of N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline has a molecular weight of 304.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is sourced from PubChem (CID 103594674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).