4-hydroxy-5-phenyl-1,3-oxazinan-2-one

C10H11NO3 — CID 21350392

IUPAC4-hydroxy-5-phenyl-1,3-oxazinan-2-one
SMILESO=C1NC(O)C(c2ccccc2)CO1
InChIInChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)
InChIKeyXZZMJRBYVRSAOS-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.83
Rot. Bonds1

About 4-hydroxy-5-phenyl-1,3-oxazinan-2-one

4-hydroxy-5-phenyl-1,3-oxazinan-2-one (PubChem CID 21350392) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-1,3-oxazinan-2-one
PubChem CID21350392
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-hydroxy-5-phenyl-1,3-oxazinan-2-one
SMILESO=C1NC(O)C(c2ccccc2)CO1
InChIInChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)
InChIKeyXZZMJRBYVRSAOS-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 4-hydroxy-5-phenyl-1,3-oxazinan-2-one (CID 21350392) is 4-hydroxy-5-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-hydroxy-5-phenyl-1,3-oxazinan-2-one is O=C1NC(O)C(c2ccccc2)CO1.
What is the InChIKey of 4-hydroxy-5-phenyl-1,3-oxazinan-2-one?
The InChIKey is XZZMJRBYVRSAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13).
What are the key properties of 4-hydroxy-5-phenyl-1,3-oxazinan-2-one?
4-hydroxy-5-phenyl-1,3-oxazinan-2-one has a molecular weight of 193.20 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 21350392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).