5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine

C15H15N3O — CID 117038946

IUPAC5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine
SMILESCN(Cc1cc(N)no1)c1cccc2ccccc12
InChIInChI=1S/C15H15N3O/c1-18(10-12-9-15(16)17-19-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyUMRAJIVLLNBMEE-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.05
Rot. Bonds3

About 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine

5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine (PubChem CID 117038946) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine
PubChem CID117038946
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine
SMILESCN(Cc1cc(N)no1)c1cccc2ccccc12
InChIInChI=1S/C15H15N3O/c1-18(10-12-9-15(16)17-19-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyUMRAJIVLLNBMEE-UHFFFAOYSA-N
XLogP3.05
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-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 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine (CID 117038946) is 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine is CN(Cc1cc(N)no1)c1cccc2ccccc12.
What is the InChIKey of 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine?
The InChIKey is UMRAJIVLLNBMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(10-12-9-15(16)17-19-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3,(H2,16,17).
What are the key properties of 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine?
5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).