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

C7H11NO2 — CID 58759948

IUPAC4-(propan-2-yloxymethyl)-1,2-oxazole
SMILESCC(C)OCc1cnoc1
InChIInChI=1S/C7H11NO2/c1-6(2)9-4-7-3-8-10-5-7/h3,5-6H,4H2,1-2H3
InChIKeyWKWZDEUOTCWCEU-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.60
Rot. Bonds3

About 4-(propan-2-yloxymethyl)-1,2-oxazole

4-(propan-2-yloxymethyl)-1,2-oxazole (PubChem CID 58759948) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)-1,2-oxazole
PubChem CID58759948
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-(propan-2-yloxymethyl)-1,2-oxazole
SMILESCC(C)OCc1cnoc1
InChIInChI=1S/C7H11NO2/c1-6(2)9-4-7-3-8-10-5-7/h3,5-6H,4H2,1-2H3
InChIKeyWKWZDEUOTCWCEU-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 4-(propan-2-yloxymethyl)-1,2-oxazole?
The IUPAC name of 4-(propan-2-yloxymethyl)-1,2-oxazole (CID 58759948) is 4-(propan-2-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 4-(propan-2-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 4-(propan-2-yloxymethyl)-1,2-oxazole is CC(C)OCc1cnoc1.
What is the InChIKey of 4-(propan-2-yloxymethyl)-1,2-oxazole?
The InChIKey is WKWZDEUOTCWCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(2)9-4-7-3-8-10-5-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 4-(propan-2-yloxymethyl)-1,2-oxazole?
4-(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 4-(propan-2-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 58759948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).