4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine

C13H16N2O2 — CID 62505793

IUPAC4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc(C)ccc2OC)noc1N
InChIInChI=1S/C13H16N2O2/c1-4-9-12(15-17-13(9)14)10-7-8(2)5-6-11(10)16-3/h5-7H,4,14H2,1-3H3
InChIKeyGXSKOIHCJISDIX-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.80
Rot. Bonds3

About 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine

4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 62505793) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID62505793
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc(C)ccc2OC)noc1N
InChIInChI=1S/C13H16N2O2/c1-4-9-12(15-17-13(9)14)10-7-8(2)5-6-11(10)16-3/h5-7H,4,14H2,1-3H3
InChIKeyGXSKOIHCJISDIX-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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (CID 62505793) is 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is CCc1c(-c2cc(C)ccc2OC)noc1N.
What is the InChIKey of 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is GXSKOIHCJISDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-9-12(15-17-13(9)14)10-7-8(2)5-6-11(10)16-3/h5-7H,4,14H2,1-3H3.
What are the key properties of 4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
4-ethyl-3-(2-methoxy-5-methylphenyl)-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-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62505793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).