benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate

C18H13NO5 — CID 14342201

IUPACbenzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H13NO5/c20-16-15(17(21)23-11-13-7-3-1-4-8-13)12-24-18(22)19(16)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyWJCZFDPMOTUYFR-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.15
Rot. Bonds4

About benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate

benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate (PubChem CID 14342201) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate
PubChem CID14342201
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Namebenzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H13NO5/c20-16-15(17(21)23-11-13-7-3-1-4-8-13)12-24-18(22)19(16)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyWJCZFDPMOTUYFR-UHFFFAOYSA-N
XLogP2.15
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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2-benzyl-5-(hydroxymethyl)-3-phenylmethoxycarbonylbenzoic acid
CID 68999661
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
benzyl 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 50888142
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CID 21241008

Frequently Asked Questions

What is the IUPAC name of benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate?
The IUPAC name of benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate (CID 14342201) is benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate.
What is the SMILES notation for benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate?
The canonical SMILES for benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate is O=C(OCc1ccccc1)c1coc(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate?
The InChIKey is WJCZFDPMOTUYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c20-16-15(17(21)23-11-13-7-3-1-4-8-13)12-24-18(22)19(16)14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate?
benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate has a molecular weight of 323.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,4-dioxo-3-phenyl-1,3-oxazine-5-carboxylate is sourced from PubChem (CID 14342201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).