2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one

C14H8N2O4 — CID 139689008

IUPAC2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one
SMILESO=c1ccoc(-c2ccc(-c3nc(=O)cco3)cc2)n1
InChIInChI=1S/C14H8N2O4/c17-11-5-7-19-13(15-11)9-1-2-10(4-3-9)14-16-12(18)6-8-20-14/h1-8H
InChIKeyWLWCCOIDUGOPSU-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.72
Rot. Bonds2

About 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one

2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one (PubChem CID 139689008) has the molecular formula C14H8N2O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one
PubChem CID139689008
Molecular FormulaC14H8N2O4
Molecular Weight268.23 g/mol
Exact Mass268.05
IUPAC Name2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one
SMILESO=c1ccoc(-c2ccc(-c3nc(=O)cco3)cc2)n1
InChIInChI=1S/C14H8N2O4/c17-11-5-7-19-13(15-11)9-1-2-10(4-3-9)14-16-12(18)6-8-20-14/h1-8H
InChIKeyWLWCCOIDUGOPSU-UHFFFAOYSA-N
XLogP1.72
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one?
The IUPAC name of 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one (CID 139689008) is 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one.
What is the SMILES notation for 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one?
The canonical SMILES for 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one is O=c1ccoc(-c2ccc(-c3nc(=O)cco3)cc2)n1.
What is the InChIKey of 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one?
The InChIKey is WLWCCOIDUGOPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4/c17-11-5-7-19-13(15-11)9-1-2-10(4-3-9)14-16-12(18)6-8-20-14/h1-8H.
What are the key properties of 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one?
2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one has a molecular weight of 268.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxo-1,3-oxazin-2-yl)phenyl]-1,3-oxazin-4-one is sourced from PubChem (CID 139689008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).