5-ethyl-4-phenyl-3H-1,3-oxazol-2-one

C11H11NO2 — CID 105443446

IUPAC5-ethyl-4-phenyl-3H-1,3-oxazol-2-one
SMILESCCc1oc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C11H11NO2/c1-2-9-10(12-11(13)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)
InChIKeyOIXAHMGOSJHDGW-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.20
Rot. Bonds2

About 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one

5-ethyl-4-phenyl-3H-1,3-oxazol-2-one (PubChem CID 105443446) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-ethyl-4-phenyl-3H-1,3-oxazol-2-one
PubChem CID105443446
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-ethyl-4-phenyl-3H-1,3-oxazol-2-one
SMILESCCc1oc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C11H11NO2/c1-2-9-10(12-11(13)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)
InChIKeyOIXAHMGOSJHDGW-UHFFFAOYSA-N
XLogP2.20
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one?
The IUPAC name of 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one (CID 105443446) is 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one is CCc1oc(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one?
The InChIKey is OIXAHMGOSJHDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-9-10(12-11(13)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one?
5-ethyl-4-phenyl-3H-1,3-oxazol-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-phenyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105443446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).