N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C13H18N4O2 — CID 106970850

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(C)Cc2ccccc2OC)o1
InChIInChI=1S/C13H18N4O2/c1-14-8-12-15-16-13(19-12)17(2)9-10-6-4-5-7-11(10)18-3/h4-7,14H,8-9H2,1-3H3
InChIKeyZPWPQCZYCMBINN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.43
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970850) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106970850
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(C)Cc2ccccc2OC)o1
InChIInChI=1S/C13H18N4O2/c1-14-8-12-15-16-13(19-12)17(2)9-10-6-4-5-7-11(10)18-3/h4-7,14H,8-9H2,1-3H3
InChIKeyZPWPQCZYCMBINN-UHFFFAOYSA-N
XLogP1.43
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-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

5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970851
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62138293
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 61418169
N-[(2-bromophenyl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970749
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62139060
(2R)-1-(2-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 124505843
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162382
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106966308
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271464

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106970850) is N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(N(C)Cc2ccccc2OC)o1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZPWPQCZYCMBINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-8-12-15-16-13(19-12)17(2)9-10-6-4-5-7-11(10)18-3/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).