cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine

C15H19N3O3 — CID 61325866

IUPACcyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(Cc2nc(C(N)C3CC3)no2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-19-11-6-3-9(7-12(11)20-2)8-13-17-15(18-21-13)14(16)10-4-5-10/h3,6-7,10,14H,4-5,8,16H2,1-2H3
InChIKeyQZFJQBZKVKKVGU-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.09
Rot. Bonds6

About cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine

cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61325866) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61325866
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namecyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(Cc2nc(C(N)C3CC3)no2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-19-11-6-3-9(7-12(11)20-2)8-13-17-15(18-21-13)14(16)10-4-5-10/h3,6-7,10,14H,4-5,8,16H2,1-2H3
InChIKeyQZFJQBZKVKKVGU-UHFFFAOYSA-N
XLogP2.09
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine 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

[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119948324
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103822484
3-[(3,4-dimethoxyphenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948333
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 55540151
4-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 116703853
5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1105282
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915242
2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 82290567
1-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 63047196
3-[(3,4-dimethoxyphenyl)methyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840020
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 119948303

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (CID 61325866) is cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is COc1ccc(Cc2nc(C(N)C3CC3)no2)cc1OC.
What is the InChIKey of cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is QZFJQBZKVKKVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-11-6-3-9(7-12(11)20-2)8-13-17-15(18-21-13)14(16)10-4-5-10/h3,6-7,10,14H,4-5,8,16H2,1-2H3.
What are the key properties of cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 289.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61325866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).