5,5-dimethyl-3-phenyl-1,2-oxazol-4-one

C11H11NO2 — CID 786761

IUPAC5,5-dimethyl-3-phenyl-1,2-oxazol-4-one
SMILESCC1(C)ON=C(c2ccccc2)C1=O
InChIInChI=1S/C11H11NO2/c1-11(2)10(13)9(12-14-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyBCSXVFAVIFVISA-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.77
Rot. Bonds1

About 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one

5,5-dimethyl-3-phenyl-1,2-oxazol-4-one (PubChem CID 786761) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one.

Molecular Properties

Compound Name5,5-dimethyl-3-phenyl-1,2-oxazol-4-one
PubChem CID786761
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5,5-dimethyl-3-phenyl-1,2-oxazol-4-one
SMILESCC1(C)ON=C(c2ccccc2)C1=O
InChIInChI=1S/C11H11NO2/c1-11(2)10(13)9(12-14-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyBCSXVFAVIFVISA-UHFFFAOYSA-N
XLogP1.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one?
The IUPAC name of 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one (CID 786761) is 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one.
What is the SMILES notation for 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one?
The canonical SMILES for 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one is CC1(C)ON=C(c2ccccc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one?
The InChIKey is BCSXVFAVIFVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-11(2)10(13)9(12-14-11)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one?
5,5-dimethyl-3-phenyl-1,2-oxazol-4-one has a molecular weight of 189.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-phenyl-1,2-oxazol-4-one is sourced from PubChem (CID 786761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).