5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole

C11H13NO2 — CID 173106623

IUPAC5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole
SMILESCOCC1(c2ccccc2)CC=NO1
InChIInChI=1S/C11H13NO2/c1-13-9-11(7-8-12-14-11)10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKeyIJGMYKWHXAMWFW-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.93
Rot. Bonds3

About 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole

5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole (PubChem CID 173106623) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole
PubChem CID173106623
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole
SMILESCOCC1(c2ccccc2)CC=NO1
InChIInChI=1S/C11H13NO2/c1-13-9-11(7-8-12-14-11)10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKeyIJGMYKWHXAMWFW-UHFFFAOYSA-N
XLogP1.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole?
The IUPAC name of 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole (CID 173106623) is 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole?
The canonical SMILES for 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole is COCC1(c2ccccc2)CC=NO1.
What is the InChIKey of 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole?
The InChIKey is IJGMYKWHXAMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-13-9-11(7-8-12-14-11)10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3.
What are the key properties of 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole?
5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole has a molecular weight of 191.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-5-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 173106623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).