4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine

C13H16N2O2 — CID 82082412

IUPAC4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
SMILESCCc1cc(-c2c(C)noc2N)ccc1OC
InChIInChI=1S/C13H16N2O2/c1-4-9-7-10(5-6-11(9)16-3)12-8(2)15-17-13(12)14/h5-7H,4,14H2,1-3H3
InChIKeyRIJZEYKOMRTEGV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.80
Rot. Bonds3

About 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine

4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine (PubChem CID 82082412) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
PubChem CID82082412
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
SMILESCCc1cc(-c2c(C)noc2N)ccc1OC
InChIInChI=1S/C13H16N2O2/c1-4-9-7-10(5-6-11(9)16-3)12-8(2)15-17-13(12)14/h5-7H,4,14H2,1-3H3
InChIKeyRIJZEYKOMRTEGV-UHFFFAOYSA-N
XLogP2.80
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
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-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626
3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 43158422
2-(3-ethyl-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886049
4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
CID 854607
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
CID 82091592
4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
CID 43158134
5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
CID 82288448

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine (CID 82082412) is 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine is CCc1cc(-c2c(C)noc2N)ccc1OC.
What is the InChIKey of 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine?
The InChIKey is RIJZEYKOMRTEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-9-7-10(5-6-11(9)16-3)12-8(2)15-17-13(12)14/h5-7H,4,14H2,1-3H3.
What are the key properties of 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine?
4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine has a molecular weight of 232.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 82082412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).