2,3-dihydro-1,3-oxazole;ethyl benzoate

C12H15NO3 — CID 174462539

IUPAC2,3-dihydro-1,3-oxazole;ethyl benzoate
SMILESC1=COCN1.CCOC(=O)c1ccccc1
InChIInChI=1S/C9H10O2.C3H5NO/c1-2-11-9(10)8-6-4-3-5-7-8;1-2-5-3-4-1/h3-7H,2H2,1H3;1-2,4H,3H2
InChIKeyAPLJAFYHAQFRPX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.90
Rot. Bonds2

About 2,3-dihydro-1,3-oxazole;ethyl benzoate

2,3-dihydro-1,3-oxazole;ethyl benzoate (PubChem CID 174462539) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,3-dihydro-1,3-oxazole;ethyl benzoate.

Molecular Properties

Compound Name2,3-dihydro-1,3-oxazole;ethyl benzoate
PubChem CID174462539
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2,3-dihydro-1,3-oxazole;ethyl benzoate
SMILESC1=COCN1.CCOC(=O)c1ccccc1
InChIInChI=1S/C9H10O2.C3H5NO/c1-2-11-9(10)8-6-4-3-5-7-8;1-2-5-3-4-1/h3-7H,2H2,1H3;1-2,4H,3H2
InChIKeyAPLJAFYHAQFRPX-UHFFFAOYSA-N
XLogP1.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-oxazole;ethyl benzoate?
The IUPAC name of 2,3-dihydro-1,3-oxazole;ethyl benzoate (CID 174462539) is 2,3-dihydro-1,3-oxazole;ethyl benzoate.
What is the SMILES notation for 2,3-dihydro-1,3-oxazole;ethyl benzoate?
The canonical SMILES for 2,3-dihydro-1,3-oxazole;ethyl benzoate is C1=COCN1.CCOC(=O)c1ccccc1.
What is the InChIKey of 2,3-dihydro-1,3-oxazole;ethyl benzoate?
The InChIKey is APLJAFYHAQFRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C3H5NO/c1-2-11-9(10)8-6-4-3-5-7-8;1-2-5-3-4-1/h3-7H,2H2,1H3;1-2,4H,3H2.
What are the key properties of 2,3-dihydro-1,3-oxazole;ethyl benzoate?
2,3-dihydro-1,3-oxazole;ethyl benzoate has a molecular weight of 221.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-oxazole;ethyl benzoate is sourced from PubChem (CID 174462539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).