[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine

C13H16N2O2 — CID 82371443

IUPAC[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine
SMILESCCOc1ccc(C)cc1-c1cc(CN)on1
InChIInChI=1S/C13H16N2O2/c1-3-16-13-5-4-9(2)6-11(13)12-7-10(8-14)17-15-12/h4-7H,3,8,14H2,1-2H3
InChIKeyJSUFTWKFTCOYKR-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.51
Rot. Bonds4

About [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine

[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine (PubChem CID 82371443) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine
PubChem CID82371443
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine
SMILESCCOc1ccc(C)cc1-c1cc(CN)on1
InChIInChI=1S/C13H16N2O2/c1-3-16-13-5-4-9(2)6-11(13)12-7-10(8-14)17-15-12/h4-7H,3,8,14H2,1-2H3
InChIKeyJSUFTWKFTCOYKR-UHFFFAOYSA-N
XLogP2.51
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
CID 117309607
3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine
CID 3764217
2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
CID 178133907
2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine
CID 116642504
2-(2-ethoxyphenyl)-5-methylaniline
CID 82766449
3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine
CID 117290975
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine
CID 57350794
3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine
CID 3717112
4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 62505793
[3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine
CID 166597486

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine (CID 82371443) is [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine is CCOc1ccc(C)cc1-c1cc(CN)on1.
What is the InChIKey of [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is JSUFTWKFTCOYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-16-13-5-4-9(2)6-11(13)12-7-10(8-14)17-15-12/h4-7H,3,8,14H2,1-2H3.
What are the key properties of [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine?
[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 232.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 82371443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).