5-oxo-2-phenylmethoxyoxolane-2-carboxamide

C12H13NO4 — CID 18468992

IUPAC5-oxo-2-phenylmethoxyoxolane-2-carboxamide
SMILESNC(=O)C1(OCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C12H13NO4/c13-11(15)12(7-6-10(14)17-12)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,15)
InChIKeyWDXBETJJFRVWLN-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.72
Rot. Bonds4

About 5-oxo-2-phenylmethoxyoxolane-2-carboxamide

5-oxo-2-phenylmethoxyoxolane-2-carboxamide (PubChem CID 18468992) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-oxo-2-phenylmethoxyoxolane-2-carboxamide.

Molecular Properties

Compound Name5-oxo-2-phenylmethoxyoxolane-2-carboxamide
PubChem CID18468992
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-oxo-2-phenylmethoxyoxolane-2-carboxamide
SMILESNC(=O)C1(OCc2ccccc2)CCC(=O)O1
InChIInChI=1S/C12H13NO4/c13-11(15)12(7-6-10(14)17-12)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,15)
InChIKeyWDXBETJJFRVWLN-UHFFFAOYSA-N
XLogP0.72
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-phenylmethoxyoxolan-2-one
CID 18469009
2-cyclopentyloxy-5-oxooxolane-2-carboxamide
CID 18623634
benzyl 2-oxo-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 165343304
benzyl 2-(4-methoxyphenyl)sulfanyl-5-oxooxolane-2-carboxylate
CID 14477537
(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10513737
[5-oxo-2-(phenylmethoxymethyl)oxolan-2-yl]methyl octanoate
CID 155395352
2,2-dimethylpropanoyl chloride;5-(hydroxymethyl)-5-(phenylmethoxymethyl)oxolan-2-one;[5-oxo-2-(phenylmethoxymethyl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 162081901
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
benzyl carbamate;piperidine-2,6-dione
CID 174491425
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-phenylmethoxyoxolane-2-carboxamide?
The IUPAC name of 5-oxo-2-phenylmethoxyoxolane-2-carboxamide (CID 18468992) is 5-oxo-2-phenylmethoxyoxolane-2-carboxamide.
What is the SMILES notation for 5-oxo-2-phenylmethoxyoxolane-2-carboxamide?
The canonical SMILES for 5-oxo-2-phenylmethoxyoxolane-2-carboxamide is NC(=O)C1(OCc2ccccc2)CCC(=O)O1.
What is the InChIKey of 5-oxo-2-phenylmethoxyoxolane-2-carboxamide?
The InChIKey is WDXBETJJFRVWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c13-11(15)12(7-6-10(14)17-12)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,15).
What are the key properties of 5-oxo-2-phenylmethoxyoxolane-2-carboxamide?
5-oxo-2-phenylmethoxyoxolane-2-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-phenylmethoxyoxolane-2-carboxamide is sourced from PubChem (CID 18468992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).