3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol

C13H16N2O2 — CID 113365416

IUPAC3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
SMILESCc1cnc(C(C)NCc2cccc(O)c2)o1
InChIInChI=1S/C13H16N2O2/c1-9-7-15-13(17-9)10(2)14-8-11-4-3-5-12(16)6-11/h3-7,10,14,16H,8H2,1-2H3
InChIKeyLXAQRRIMESFHGR-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.54
Rot. Bonds4

About 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol

3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol (PubChem CID 113365416) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
PubChem CID113365416
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
SMILESCc1cnc(C(C)NCc2cccc(O)c2)o1
InChIInChI=1S/C13H16N2O2/c1-9-7-15-13(17-9)10(2)14-8-11-4-3-5-12(16)6-11/h3-7,10,14,16H,8H2,1-2H3
InChIKeyLXAQRRIMESFHGR-UHFFFAOYSA-N
XLogP2.54
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol 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

N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893548
3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 104881394
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
CID 43222033
2-methoxy-4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 106388011
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 113347391
2-[4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenyl]propanoic acid
CID 106388931
1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 106387875
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol (CID 113365416) is 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol is Cc1cnc(C(C)NCc2cccc(O)c2)o1.
What is the InChIKey of 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol?
The InChIKey is LXAQRRIMESFHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-7-15-13(17-9)10(2)14-8-11-4-3-5-12(16)6-11/h3-7,10,14,16H,8H2,1-2H3.
What are the key properties of 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol?
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 113365416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).