2-benzyl-5-ethoxy-1,3-oxazole

C12H13NO2 — CID 1471413

IUPAC2-benzyl-5-ethoxy-1,3-oxazole
SMILESCCOc1cnc(Cc2ccccc2)o1
InChIInChI=1S/C12H13NO2/c1-2-14-12-9-13-11(15-12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyLNWIFVRCYQEDGD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.66
Rot. Bonds4

About 2-benzyl-5-ethoxy-1,3-oxazole

2-benzyl-5-ethoxy-1,3-oxazole (PubChem CID 1471413) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-benzyl-5-ethoxy-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-5-ethoxy-1,3-oxazole
PubChem CID1471413
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-benzyl-5-ethoxy-1,3-oxazole
SMILESCCOc1cnc(Cc2ccccc2)o1
InChIInChI=1S/C12H13NO2/c1-2-14-12-9-13-11(15-12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyLNWIFVRCYQEDGD-UHFFFAOYSA-N
XLogP2.66
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethoxy-1,3-oxazole?
The IUPAC name of 2-benzyl-5-ethoxy-1,3-oxazole (CID 1471413) is 2-benzyl-5-ethoxy-1,3-oxazole.
What is the SMILES notation for 2-benzyl-5-ethoxy-1,3-oxazole?
The canonical SMILES for 2-benzyl-5-ethoxy-1,3-oxazole is CCOc1cnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-ethoxy-1,3-oxazole?
The InChIKey is LNWIFVRCYQEDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-14-12-9-13-11(15-12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 2-benzyl-5-ethoxy-1,3-oxazole?
2-benzyl-5-ethoxy-1,3-oxazole has a molecular weight of 203.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethoxy-1,3-oxazole is sourced from PubChem (CID 1471413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).