phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate

C17H14N2O6S — CID 70495804

IUPACphenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate
SMILESO=C(NS(=O)(=O)c1ccccc1OCc1ccno1)Oc1ccccc1
InChIInChI=1S/C17H14N2O6S/c20-17(24-13-6-2-1-3-7-13)19-26(21,22)16-9-5-4-8-15(16)23-12-14-10-11-18-25-14/h1-11H,12H2,(H,19,20)
InChIKeyNMUJYUPVBDWWPE-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.73
Rot. Bonds6

About phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate

phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate (PubChem CID 70495804) has the molecular formula C17H14N2O6S and a molecular weight of 374.37 g/mol. Its IUPAC name is phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate.

Molecular Properties

Compound Namephenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate
PubChem CID70495804
Molecular FormulaC17H14N2O6S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Namephenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate
SMILESO=C(NS(=O)(=O)c1ccccc1OCc1ccno1)Oc1ccccc1
InChIInChI=1S/C17H14N2O6S/c20-17(24-13-6-2-1-3-7-13)19-26(21,22)16-9-5-4-8-15(16)23-12-14-10-11-18-25-14/h1-11H,12H2,(H,19,20)
InChIKeyNMUJYUPVBDWWPE-UHFFFAOYSA-N
XLogP2.73
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
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phenyl N-(2-hydroxyethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate?
The IUPAC name of phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate (CID 70495804) is phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate.
What is the SMILES notation for phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate?
The canonical SMILES for phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate is O=C(NS(=O)(=O)c1ccccc1OCc1ccno1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate?
The InChIKey is NMUJYUPVBDWWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6S/c20-17(24-13-6-2-1-3-7-13)19-26(21,22)16-9-5-4-8-15(16)23-12-14-10-11-18-25-14/h1-11H,12H2,(H,19,20).
What are the key properties of phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate?
phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate has a molecular weight of 374.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate is sourced from PubChem (CID 70495804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).