3-methyl-4-propoxy-1,2-oxazole

C7H11NO2 — CID 170023610

IUPAC3-methyl-4-propoxy-1,2-oxazole
SMILESCCCOc1conc1C
InChIInChI=1S/C7H11NO2/c1-3-4-9-7-5-10-8-6(7)2/h5H,3-4H2,1-2H3
InChIKeyGRYAXSQWWBVQQX-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.77
Rot. Bonds3

About 3-methyl-4-propoxy-1,2-oxazole

3-methyl-4-propoxy-1,2-oxazole (PubChem CID 170023610) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-methyl-4-propoxy-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-4-propoxy-1,2-oxazole
PubChem CID170023610
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-methyl-4-propoxy-1,2-oxazole
SMILESCCCOc1conc1C
InChIInChI=1S/C7H11NO2/c1-3-4-9-7-5-10-8-6(7)2/h5H,3-4H2,1-2H3
InChIKeyGRYAXSQWWBVQQX-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propoxy-1,2-oxazole?
The IUPAC name of 3-methyl-4-propoxy-1,2-oxazole (CID 170023610) is 3-methyl-4-propoxy-1,2-oxazole.
What is the SMILES notation for 3-methyl-4-propoxy-1,2-oxazole?
The canonical SMILES for 3-methyl-4-propoxy-1,2-oxazole is CCCOc1conc1C.
What is the InChIKey of 3-methyl-4-propoxy-1,2-oxazole?
The InChIKey is GRYAXSQWWBVQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-9-7-5-10-8-6(7)2/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-4-propoxy-1,2-oxazole?
3-methyl-4-propoxy-1,2-oxazole has a molecular weight of 141.17 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propoxy-1,2-oxazole is sourced from PubChem (CID 170023610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).