N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine

C16H21N3O — CID 51078845

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
SMILESCCN(Cc1cccc(C)c1)Cc1nc(C2CC2)no1
InChIInChI=1S/C16H21N3O/c1-3-19(10-13-6-4-5-12(2)9-13)11-15-17-16(18-20-15)14-7-8-14/h4-6,9,14H,3,7-8,10-11H2,1-2H3
InChIKeyRRBMFVMBILXYIZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds6

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 51078845) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID51078845
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
SMILESCCN(Cc1cccc(C)c1)Cc1nc(C2CC2)no1
InChIInChI=1S/C16H21N3O/c1-3-19(10-13-6-4-5-12(2)9-13)11-15-17-16(18-20-15)14-7-8-14/h4-6,9,14H,3,7-8,10-11H2,1-2H3
InChIKeyRRBMFVMBILXYIZ-UHFFFAOYSA-N
XLogP3.28
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine 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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
CID 107367593
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 51076927
3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641772
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline
CID 75415876
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 51076501
1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine
CID 31193804
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 146121498
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
CID 47025097
N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827164
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine (CID 51078845) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine is CCN(Cc1cccc(C)c1)Cc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is RRBMFVMBILXYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19(10-13-6-4-5-12(2)9-13)11-15-17-16(18-20-15)14-7-8-14/h4-6,9,14H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 51078845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).