[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine

C13H16N2O2 — CID 82289626

IUPAC[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCCc1cc(-c2oncc2CN)ccc1OC
InChIInChI=1S/C13H16N2O2/c1-3-9-6-10(4-5-12(9)16-2)13-11(7-14)8-15-17-13/h4-6,8H,3,7,14H2,1-2H3
InChIKeyPWOFWKROEYPRBV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.37
Rot. Bonds4

About [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine

[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82289626) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82289626
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCCc1cc(-c2oncc2CN)ccc1OC
InChIInChI=1S/C13H16N2O2/c1-3-9-6-10(4-5-12(9)16-2)13-11(7-14)8-15-17-13/h4-6,8H,3,7,14H2,1-2H3
InChIKeyPWOFWKROEYPRBV-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine 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

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239749
5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
CID 82285421
2-[3-(3-ethyl-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96662993
[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82295318
4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82082412
5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
CID 82288448
4-[4-(aminomethyl)-1,2-oxazol-5-yl]benzonitrile
CID 65239471
5-(3-ethyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565110
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine (CID 82289626) is [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine is CCc1cc(-c2oncc2CN)ccc1OC.
What is the InChIKey of [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is PWOFWKROEYPRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-9-6-10(4-5-12(9)16-2)13-11(7-14)8-15-17-13/h4-6,8H,3,7,14H2,1-2H3.
What are the key properties of [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine?
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 232.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82289626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).