3-(2-phenylethyl)-1,3-oxazol-2-one

C11H11NO2 — CID 155677682

IUPAC3-(2-phenylethyl)-1,3-oxazol-2-one
SMILESO=c1occn1CCc1ccccc1
InChIInChI=1S/C11H11NO2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyBUOCQCPGTAOPQQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.68
Rot. Bonds3

About 3-(2-phenylethyl)-1,3-oxazol-2-one

3-(2-phenylethyl)-1,3-oxazol-2-one (PubChem CID 155677682) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-1,3-oxazol-2-one
PubChem CID155677682
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(2-phenylethyl)-1,3-oxazol-2-one
SMILESO=c1occn1CCc1ccccc1
InChIInChI=1S/C11H11NO2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyBUOCQCPGTAOPQQ-UHFFFAOYSA-N
XLogP1.68
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1,3-oxazol-2-one?
The IUPAC name of 3-(2-phenylethyl)-1,3-oxazol-2-one (CID 155677682) is 3-(2-phenylethyl)-1,3-oxazol-2-one.
What is the SMILES notation for 3-(2-phenylethyl)-1,3-oxazol-2-one?
The canonical SMILES for 3-(2-phenylethyl)-1,3-oxazol-2-one is O=c1occn1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-1,3-oxazol-2-one?
The InChIKey is BUOCQCPGTAOPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of 3-(2-phenylethyl)-1,3-oxazol-2-one?
3-(2-phenylethyl)-1,3-oxazol-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1,3-oxazol-2-one is sourced from PubChem (CID 155677682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).