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

C11H13N3O2 — CID 115031242

IUPAC4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine
SMILESCOc1ccc(-c2coc(N)n2)cc1CN
InChIInChI=1S/C11H13N3O2/c1-15-10-3-2-7(4-8(10)5-12)9-6-16-11(13)14-9/h2-4,6H,5,12H2,1H3,(H2,13,14)
InChIKeyLAKYYVGGWPIWNB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.39
Rot. Bonds3

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

4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine (PubChem CID 115031242) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine
PubChem CID115031242
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine
SMILESCOc1ccc(-c2coc(N)n2)cc1CN
InChIInChI=1S/C11H13N3O2/c1-15-10-3-2-7(4-8(10)5-12)9-6-16-11(13)14-9/h2-4,6H,5,12H2,1H3,(H2,13,14)
InChIKeyLAKYYVGGWPIWNB-UHFFFAOYSA-N
XLogP1.39
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(aminomethyl)-4-methoxyphenyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine?
The IUPAC name of 4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine (CID 115031242) is 4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine is COc1ccc(-c2coc(N)n2)cc1CN.
What is the InChIKey of 4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine?
The InChIKey is LAKYYVGGWPIWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-10-3-2-7(4-8(10)5-12)9-6-16-11(13)14-9/h2-4,6H,5,12H2,1H3,(H2,13,14).
What are the key properties of 4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine?
4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine has a molecular weight of 219.24 g/mol, XLogP of 1.39, 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]-1,3-oxazol-2-amine is sourced from PubChem (CID 115031242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).