(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate

C12H11NO4 — CID 12706673

IUPAC(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate
SMILESO=C1C=CC(COC(=O)Nc2ccccc2)O1
InChIInChI=1S/C12H11NO4/c14-11-7-6-10(17-11)8-16-12(15)13-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,13,15)
InChIKeyLZDRLKQMFAAAAR-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.72
Rot. Bonds3

About (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate

(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate (PubChem CID 12706673) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate
PubChem CID12706673
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate
SMILESO=C1C=CC(COC(=O)Nc2ccccc2)O1
InChIInChI=1S/C12H11NO4/c14-11-7-6-10(17-11)8-16-12(15)13-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,13,15)
InChIKeyLZDRLKQMFAAAAR-UHFFFAOYSA-N
XLogP1.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenoxymethyl)-2H-furan-5-one
CID 11275514
1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate
CID 165348255
(4-methyl-5-oxooxolan-2-yl)methyl N-phenylcarbamate;phenylcarbamic acid
CID 162736902
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
CID 13195045
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
CID 12650344
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl N-phenylcarbamate
CID 101341073

Frequently Asked Questions

What is the IUPAC name of (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate?
The IUPAC name of (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate (CID 12706673) is (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate?
The canonical SMILES for (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate is O=C1C=CC(COC(=O)Nc2ccccc2)O1.
What is the InChIKey of (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate?
The InChIKey is LZDRLKQMFAAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-11-7-6-10(17-11)8-16-12(15)13-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,13,15).
What are the key properties of (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate?
(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate has a molecular weight of 233.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 12706673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).