5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole

C13H14N2O3 — CID 54524844

IUPAC5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole
SMILESCOC(c1cc(C)no1)c1ccccc1CN=O
InChIInChI=1S/C13H14N2O3/c1-9-7-12(18-15-9)13(17-2)11-6-4-3-5-10(11)8-14-16/h3-7,13H,8H2,1-2H3
InChIKeyYSKNYYFOCKRZBI-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.99
Rot. Bonds5

About 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole

5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole (PubChem CID 54524844) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole
PubChem CID54524844
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole
SMILESCOC(c1cc(C)no1)c1ccccc1CN=O
InChIInChI=1S/C13H14N2O3/c1-9-7-12(18-15-9)13(17-2)11-6-4-3-5-10(11)8-14-16/h3-7,13H,8H2,1-2H3
InChIKeyYSKNYYFOCKRZBI-UHFFFAOYSA-N
XLogP2.99
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole (CID 54524844) is 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole is COC(c1cc(C)no1)c1ccccc1CN=O.
What is the InChIKey of 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is YSKNYYFOCKRZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-7-12(18-15-9)13(17-2)11-6-4-3-5-10(11)8-14-16/h3-7,13H,8H2,1-2H3.
What are the key properties of 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole?
5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 246.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy-[2-(nitrosomethyl)phenyl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 54524844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).