2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine

C13H16N2O — CID 116642504

IUPAC2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine
SMILESCc1ccc(-c2cc(CCN)on2)c(C)c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-12(10(2)7-9)13-8-11(5-6-14)16-15-13/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyCIZMNCFAFJDWEL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.46
Rot. Bonds3

About 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine

2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 116642504) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID116642504
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine
SMILESCc1ccc(-c2cc(CCN)on2)c(C)c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-12(10(2)7-9)13-8-11(5-6-14)16-15-13/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyCIZMNCFAFJDWEL-UHFFFAOYSA-N
XLogP2.46
TPSA52.05 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine (CID 116642504) is 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine is Cc1ccc(-c2cc(CCN)on2)c(C)c1.
What is the InChIKey of 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is CIZMNCFAFJDWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-4-12(10(2)7-9)13-8-11(5-6-14)16-15-13/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine?
2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 116642504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).