2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline

C13H16N2O — CID 3058218

IUPAC2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline
SMILESCc1cc(CNc2c(C)cccc2C)no1
InChIInChI=1S/C13H16N2O/c1-9-5-4-6-10(2)13(9)14-8-12-7-11(3)16-15-12/h4-7,14H,8H2,1-3H3
InChIKeyRIVIWFOAUSNYTP-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds3

About 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline

2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline (PubChem CID 3058218) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline
PubChem CID3058218
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline
SMILESCc1cc(CNc2c(C)cccc2C)no1
InChIInChI=1S/C13H16N2O/c1-9-5-4-6-10(2)13(9)14-8-12-7-11(3)16-15-12/h4-7,14H,8H2,1-3H3
InChIKeyRIVIWFOAUSNYTP-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline 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 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline (CID 3058218) is 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline is Cc1cc(CNc2c(C)cccc2C)no1.
What is the InChIKey of 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline?
The InChIKey is RIVIWFOAUSNYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-4-6-10(2)13(9)14-8-12-7-11(3)16-15-12/h4-7,14H,8H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline?
2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline has a molecular weight of 216.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline is sourced from PubChem (CID 3058218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).