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

C12H14N2O2 — CID 82285421

IUPAC5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCCc1cc(-c2cnc(N)o2)ccc1OC
InChIInChI=1S/C12H14N2O2/c1-3-8-6-9(4-5-10(8)15-2)11-7-14-12(13)16-11/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyILLDSTDXCWUBAO-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.49
Rot. Bonds3

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

5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine (PubChem CID 82285421) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
PubChem CID82285421
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCCc1cc(-c2cnc(N)o2)ccc1OC
InChIInChI=1S/C12H14N2O2/c1-3-8-6-9(4-5-10(8)15-2)11-7-14-12(13)16-11/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyILLDSTDXCWUBAO-UHFFFAOYSA-N
XLogP2.49
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine (CID 82285421) is 5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine is CCc1cc(-c2cnc(N)o2)ccc1OC.
What is the InChIKey of 5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is ILLDSTDXCWUBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-8-6-9(4-5-10(8)15-2)11-7-14-12(13)16-11/h4-7H,3H2,1-2H3,(H2,13,14).
What are the key properties of 5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine?
5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.49, 3 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)-1,3-oxazol-2-amine is sourced from PubChem (CID 82285421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).