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

C12H15N3O2 — CID 115039437

IUPAC4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine
SMILESCOc1ccc(-c2nc(N)oc2C)cc1CN
InChIInChI=1S/C12H15N3O2/c1-7-11(15-12(14)17-7)8-3-4-10(16-2)9(5-8)6-13/h3-5H,6,13H2,1-2H3,(H2,14,15)
InChIKeyQXQDSFGLLVZOFO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.70
Rot. Bonds3

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

4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine (PubChem CID 115039437) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine
PubChem CID115039437
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine
SMILESCOc1ccc(-c2nc(N)oc2C)cc1CN
InChIInChI=1S/C12H15N3O2/c1-7-11(15-12(14)17-7)8-3-4-10(16-2)9(5-8)6-13/h3-5H,6,13H2,1-2H3,(H2,14,15)
InChIKeyQXQDSFGLLVZOFO-UHFFFAOYSA-N
XLogP1.70
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-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

4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine
CID 115031242
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
CID 115023924
[2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115041880
[5-(1,3-dimethylpyrazol-4-yl)-2-methoxyphenyl]methanamine
CID 66009097
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138
3-[3-(aminomethyl)-4-methoxyphenyl]-4-methoxybenzonitrile
CID 106951075

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine (CID 115039437) is 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine is COc1ccc(-c2nc(N)oc2C)cc1CN.
What is the InChIKey of 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine?
The InChIKey is QXQDSFGLLVZOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-11(15-12(14)17-7)8-3-4-10(16-2)9(5-8)6-13/h3-5H,6,13H2,1-2H3,(H2,14,15).
What are the key properties of 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine?
4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 115039437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).