5,5-diethyl-2-propyl-4H-1,3-oxazole

C10H19NO — CID 141059354

IUPAC5,5-diethyl-2-propyl-4H-1,3-oxazole
SMILESCCCC1=NCC(CC)(CC)O1
InChIInChI=1S/C10H19NO/c1-4-7-9-11-8-10(5-2,6-3)12-9/h4-8H2,1-3H3
InChIKeyZLQJKPQZOJJZCG-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.77
Rot. Bonds4

About 5,5-diethyl-2-propyl-4H-1,3-oxazole

5,5-diethyl-2-propyl-4H-1,3-oxazole (PubChem CID 141059354) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5,5-diethyl-2-propyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5,5-diethyl-2-propyl-4H-1,3-oxazole
PubChem CID141059354
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5,5-diethyl-2-propyl-4H-1,3-oxazole
SMILESCCCC1=NCC(CC)(CC)O1
InChIInChI=1S/C10H19NO/c1-4-7-9-11-8-10(5-2,6-3)12-9/h4-8H2,1-3H3
InChIKeyZLQJKPQZOJJZCG-UHFFFAOYSA-N
XLogP2.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-propyl-4H-1,3-oxazole?
The IUPAC name of 5,5-diethyl-2-propyl-4H-1,3-oxazole (CID 141059354) is 5,5-diethyl-2-propyl-4H-1,3-oxazole.
What is the SMILES notation for 5,5-diethyl-2-propyl-4H-1,3-oxazole?
The canonical SMILES for 5,5-diethyl-2-propyl-4H-1,3-oxazole is CCCC1=NCC(CC)(CC)O1.
What is the InChIKey of 5,5-diethyl-2-propyl-4H-1,3-oxazole?
The InChIKey is ZLQJKPQZOJJZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-9-11-8-10(5-2,6-3)12-9/h4-8H2,1-3H3.
What are the key properties of 5,5-diethyl-2-propyl-4H-1,3-oxazole?
5,5-diethyl-2-propyl-4H-1,3-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-propyl-4H-1,3-oxazole is sourced from PubChem (CID 141059354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).