4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate

C11H11NO3 — CID 101036296

IUPAC4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1C=NOC1
InChIInChI=1S/C11H11NO3/c13-11(15-10-7-12-14-8-10)6-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyOEWVCKIAEYWAJK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.16
Rot. Bonds3

About 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate

4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate (PubChem CID 101036296) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate
PubChem CID101036296
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1C=NOC1
InChIInChI=1S/C11H11NO3/c13-11(15-10-7-12-14-8-10)6-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyOEWVCKIAEYWAJK-UHFFFAOYSA-N
XLogP1.16
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-oxocyclohexyl) 2-phenylacetate
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(2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate
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[tert-butyl(dimethyl)silyl] 2-phenylacetate
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(2-phenylacetyl)oxy 2-phenylethaneperoxoate
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(4-azidooxolan-3-yl) 2-phenylacetate
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CID 174393592
CID 174393592
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
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[(2S)-oxiran-2-yl]methyl 2-(4-benzylphenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate?
The IUPAC name of 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate (CID 101036296) is 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate.
What is the SMILES notation for 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate?
The canonical SMILES for 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate is O=C(Cc1ccccc1)OC1C=NOC1.
What is the InChIKey of 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate?
The InChIKey is OEWVCKIAEYWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-11(15-10-7-12-14-8-10)6-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2.
What are the key properties of 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate?
4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate has a molecular weight of 205.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazol-4-yl 2-phenylacetate is sourced from PubChem (CID 101036296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).