5-(propan-2-yloxymethyl)-1,2-oxazole

C7H11NO2 — CID 91078473

IUPAC5-(propan-2-yloxymethyl)-1,2-oxazole
SMILESCC(C)OCc1ccno1
InChIInChI=1S/C7H11NO2/c1-6(2)9-5-7-3-4-8-10-7/h3-4,6H,5H2,1-2H3
InChIKeyZLIDMJSNDMFXMO-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.60
Rot. Bonds3

About 5-(propan-2-yloxymethyl)-1,2-oxazole

5-(propan-2-yloxymethyl)-1,2-oxazole (PubChem CID 91078473) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-(propan-2-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(propan-2-yloxymethyl)-1,2-oxazole
PubChem CID91078473
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-(propan-2-yloxymethyl)-1,2-oxazole
SMILESCC(C)OCc1ccno1
InChIInChI=1S/C7H11NO2/c1-6(2)9-5-7-3-4-8-10-7/h3-4,6H,5H2,1-2H3
InChIKeyZLIDMJSNDMFXMO-UHFFFAOYSA-N
XLogP1.60
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-yloxymethyl)-1,2-oxazole?
The IUPAC name of 5-(propan-2-yloxymethyl)-1,2-oxazole (CID 91078473) is 5-(propan-2-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-(propan-2-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 5-(propan-2-yloxymethyl)-1,2-oxazole is CC(C)OCc1ccno1.
What is the InChIKey of 5-(propan-2-yloxymethyl)-1,2-oxazole?
The InChIKey is ZLIDMJSNDMFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(2)9-5-7-3-4-8-10-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-(propan-2-yloxymethyl)-1,2-oxazole?
5-(propan-2-yloxymethyl)-1,2-oxazole has a molecular weight of 141.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 91078473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).