N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C19H27N3O — CID 120867807

IUPACN-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(C2(c3ccccc3C)CCCCC2)n1
InChIInChI=1S/C19H27N3O/c1-14-9-5-6-10-16(14)19(11-7-4-8-12-19)18-21-17(22-23-18)13-15(2)20-3/h5-6,9-10,15,20H,4,7-8,11-13H2,1-3H3
InChIKeyIDQZTJMOQPMFBU-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.78
Rot. Bonds5

About N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 120867807) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID120867807
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(C2(c3ccccc3C)CCCCC2)n1
InChIInChI=1S/C19H27N3O/c1-14-9-5-6-10-16(14)19(11-7-4-8-12-19)18-21-17(22-23-18)13-15(2)20-3/h5-6,9-10,15,20H,4,7-8,11-13H2,1-3H3
InChIKeyIDQZTJMOQPMFBU-UHFFFAOYSA-N
XLogP3.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[1-(4-chlorophenyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869326
1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120869381
N-methyl-1-[5-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867345
N-methyl-1-[5-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868974
N-methyl-1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868305
N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene
CID 70442596
1-[5-[4-(4-bromophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867821
1-[5-[1-(4-chlorophenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866148
1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862454
1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868372
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866036

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 120867807) is N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CNC(C)Cc1noc(C2(c3ccccc3C)CCCCC2)n1.
What is the InChIKey of N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is IDQZTJMOQPMFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14-9-5-6-10-16(14)19(11-7-4-8-12-19)18-21-17(22-23-18)13-15(2)20-3/h5-6,9-10,15,20H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 313.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 120867807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).