6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one

C15H15NO2 — CID 709713

IUPAC6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one
SMILESCC1(C)CC(=O)c2c(noc2-c2ccccc2)C1
InChIInChI=1S/C15H15NO2/c1-15(2)8-11-13(12(17)9-15)14(18-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyKYTFDPUNAIZGBJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.50
Rot. Bonds1

About 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one

6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one (PubChem CID 709713) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one
PubChem CID709713
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one
SMILESCC1(C)CC(=O)c2c(noc2-c2ccccc2)C1
InChIInChI=1S/C15H15NO2/c1-15(2)8-11-13(12(17)9-15)14(18-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyKYTFDPUNAIZGBJ-UHFFFAOYSA-N
XLogP3.50
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one?
The IUPAC name of 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one (CID 709713) is 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one?
The canonical SMILES for 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one is CC1(C)CC(=O)c2c(noc2-c2ccccc2)C1.
What is the InChIKey of 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one?
The InChIKey is KYTFDPUNAIZGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(2)8-11-13(12(17)9-15)14(18-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one?
6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one has a molecular weight of 241.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-5,7-dihydro-2,1-benzoxazol-4-one is sourced from PubChem (CID 709713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).