2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline

C21H26N4OS — CID 24674309

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCN(Cc1ccccc1NCc1nc(-c2ccsc2)no1)C1CCCCC1
InChIInChI=1S/C21H26N4OS/c1-25(18-8-3-2-4-9-18)14-16-7-5-6-10-19(16)22-13-20-23-21(24-26-20)17-11-12-27-15-17/h5-7,10-12,15,18,22H,2-4,8-9,13-14H2,1H3
InChIKeyUTRUEOAZQYROQF-UHFFFAOYSA-N
MW382.53 g/mol
LogP5.17
Rot. Bonds7

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

2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 24674309) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID24674309
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCN(Cc1ccccc1NCc1nc(-c2ccsc2)no1)C1CCCCC1
InChIInChI=1S/C21H26N4OS/c1-25(18-8-3-2-4-9-18)14-16-7-5-6-10-19(16)22-13-20-23-21(24-26-20)17-11-12-27-15-17/h5-7,10-12,15,18,22H,2-4,8-9,13-14H2,1H3
InChIKeyUTRUEOAZQYROQF-UHFFFAOYSA-N
XLogP5.17
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline with MolForge

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Related Compounds

2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771046
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 55917418
2-[[cyclohexyl(methyl)amino]methyl]-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 78795327
N-cyclohexyl-3-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539086
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 60500576
2-chloro-4-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 24674213
5-bromo-2-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47313618
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924367
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 24674309) is 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline is CN(Cc1ccccc1NCc1nc(-c2ccsc2)no1)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is UTRUEOAZQYROQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-25(18-8-3-2-4-9-18)14-16-7-5-6-10-19(16)22-13-20-23-21(24-26-20)17-11-12-27-15-17/h5-7,10-12,15,18,22H,2-4,8-9,13-14H2,1H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 382.53 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 24674309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).