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

C13H11NO2 — CID 13141365

IUPAC6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESO=C1CC(c2ccccc2)Cc2oncc21
InChIInChI=1S/C13H11NO2/c15-12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14-16-13/h1-5,8,10H,6-7H2
InChIKeyVSOOILSJOPQSOZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.59
Rot. Bonds1

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

6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one (PubChem CID 13141365) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one.

Molecular Properties

Compound Name6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
PubChem CID13141365
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESO=C1CC(c2ccccc2)Cc2oncc21
InChIInChI=1S/C13H11NO2/c15-12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14-16-13/h1-5,8,10H,6-7H2
InChIKeyVSOOILSJOPQSOZ-UHFFFAOYSA-N
XLogP2.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The IUPAC name of 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one (CID 13141365) is 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one.
What is the SMILES notation for 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The canonical SMILES for 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one is O=C1CC(c2ccccc2)Cc2oncc21.
What is the InChIKey of 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The InChIKey is VSOOILSJOPQSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14-16-13/h1-5,8,10H,6-7H2.
What are the key properties of 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one has a molecular weight of 213.24 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one is sourced from PubChem (CID 13141365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).