2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol

C13H16N2O2 — CID 71857545

IUPAC2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol
SMILESCc1cc(CN(CCO)c2ccccc2)on1
InChIInChI=1S/C13H16N2O2/c1-11-9-13(17-14-11)10-15(7-8-16)12-5-3-2-4-6-12/h2-6,9,16H,7-8,10H2,1H3
InChIKeyXVGLNGQTPWUQOZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.98
Rot. Bonds5

About 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol

2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol (PubChem CID 71857545) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol
PubChem CID71857545
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol
SMILESCc1cc(CN(CCO)c2ccccc2)on1
InChIInChI=1S/C13H16N2O2/c1-11-9-13(17-14-11)10-15(7-8-16)12-5-3-2-4-6-12/h2-6,9,16H,7-8,10H2,1H3
InChIKeyXVGLNGQTPWUQOZ-UHFFFAOYSA-N
XLogP1.98
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol 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-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol?
The IUPAC name of 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol (CID 71857545) is 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol is Cc1cc(CN(CCO)c2ccccc2)on1.
What is the InChIKey of 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol?
The InChIKey is XVGLNGQTPWUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-11-9-13(17-14-11)10-15(7-8-16)12-5-3-2-4-6-12/h2-6,9,16H,7-8,10H2,1H3.
What are the key properties of 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol?
2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol has a molecular weight of 232.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol is sourced from PubChem (CID 71857545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).