5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole

C12H13NO3 — CID 2763518

IUPAC5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCCOc1cnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C12H13NO3/c1-3-15-11-8-13-12(16-11)9-4-6-10(14-2)7-5-9/h4-8H,3H2,1-2H3
InChIKeyAFQUGOKSOKISQG-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.75
Rot. Bonds4

About 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole

5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 2763518) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID2763518
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCCOc1cnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C12H13NO3/c1-3-15-11-8-13-12(16-11)9-4-6-10(14-2)7-5-9/h4-8H,3H2,1-2H3
InChIKeyAFQUGOKSOKISQG-UHFFFAOYSA-N
XLogP2.75
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole (CID 2763518) is 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole is CCOc1cnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is AFQUGOKSOKISQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-15-11-8-13-12(16-11)9-4-6-10(14-2)7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole?
5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 219.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 2763518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).