2,4-diethyl-2,3-dihydro-1,3-oxazole

C7H13NO — CID 163543968

IUPAC2,4-diethyl-2,3-dihydro-1,3-oxazole
SMILESCCC1=COC(CC)N1
InChIInChI=1S/C7H13NO/c1-3-6-5-9-7(4-2)8-6/h5,7-8H,3-4H2,1-2H3
InChIKeyBGGAUXLODXQQOT-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.59
Rot. Bonds2

About 2,4-diethyl-2,3-dihydro-1,3-oxazole

2,4-diethyl-2,3-dihydro-1,3-oxazole (PubChem CID 163543968) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,4-diethyl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2,4-diethyl-2,3-dihydro-1,3-oxazole
PubChem CID163543968
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,4-diethyl-2,3-dihydro-1,3-oxazole
SMILESCCC1=COC(CC)N1
InChIInChI=1S/C7H13NO/c1-3-6-5-9-7(4-2)8-6/h5,7-8H,3-4H2,1-2H3
InChIKeyBGGAUXLODXQQOT-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2,3-dihydro-1,3-oxazole?
The IUPAC name of 2,4-diethyl-2,3-dihydro-1,3-oxazole (CID 163543968) is 2,4-diethyl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 2,4-diethyl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 2,4-diethyl-2,3-dihydro-1,3-oxazole is CCC1=COC(CC)N1.
What is the InChIKey of 2,4-diethyl-2,3-dihydro-1,3-oxazole?
The InChIKey is BGGAUXLODXQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6-5-9-7(4-2)8-6/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 2,4-diethyl-2,3-dihydro-1,3-oxazole?
2,4-diethyl-2,3-dihydro-1,3-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 163543968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).