3,5-diethyl-4H-1,2-oxazol-5-ol

C7H13NO2 — CID 59652548

IUPAC3,5-diethyl-4H-1,2-oxazol-5-ol
SMILESCCC1=NOC(O)(CC)C1
InChIInChI=1S/C7H13NO2/c1-3-6-5-7(9,4-2)10-8-6/h9H,3-5H2,1-2H3
InChIKeySASSOVZOPZGOBA-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.27
Rot. Bonds2

About 3,5-diethyl-4H-1,2-oxazol-5-ol

3,5-diethyl-4H-1,2-oxazol-5-ol (PubChem CID 59652548) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3,5-diethyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3,5-diethyl-4H-1,2-oxazol-5-ol
PubChem CID59652548
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3,5-diethyl-4H-1,2-oxazol-5-ol
SMILESCCC1=NOC(O)(CC)C1
InChIInChI=1S/C7H13NO2/c1-3-6-5-7(9,4-2)10-8-6/h9H,3-5H2,1-2H3
InChIKeySASSOVZOPZGOBA-UHFFFAOYSA-N
XLogP1.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3,5-diethyl-4H-1,2-oxazol-5-ol (CID 59652548) is 3,5-diethyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3,5-diethyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3,5-diethyl-4H-1,2-oxazol-5-ol is CCC1=NOC(O)(CC)C1.
What is the InChIKey of 3,5-diethyl-4H-1,2-oxazol-5-ol?
The InChIKey is SASSOVZOPZGOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6-5-7(9,4-2)10-8-6/h9H,3-5H2,1-2H3.
What are the key properties of 3,5-diethyl-4H-1,2-oxazol-5-ol?
3,5-diethyl-4H-1,2-oxazol-5-ol has a molecular weight of 143.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 59652548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).