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

C11H14N4O2 — CID 106966308

IUPAC5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1CNc1nnc(CN)o1
InChIInChI=1S/C11H14N4O2/c1-16-9-5-3-2-4-8(9)7-13-11-15-14-10(6-12)17-11/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyZQTTUOBOEFZKDN-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.15
Rot. Bonds5

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

5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966308) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966308
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1CNc1nnc(CN)o1
InChIInChI=1S/C11H14N4O2/c1-16-9-5-3-2-4-8(9)7-13-11-15-14-10(6-12)17-11/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyZQTTUOBOEFZKDN-UHFFFAOYSA-N
XLogP1.15
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-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-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 72880115
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine
CID 115045042
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
5-(2-chloroethyl)-N-[(2-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957914
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62138293
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62139060
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
6-methoxy-2-N-[(2-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 43260997
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970850

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106966308) is 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine is COc1ccccc1CNc1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZQTTUOBOEFZKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-16-9-5-3-2-4-8(9)7-13-11-15-14-10(6-12)17-11/h2-5H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 234.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).