3,4-diethyl-4,5-dihydro-1,2-oxazole

C7H13NO — CID 123665575

IUPAC3,4-diethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOCC1CC
InChIInChI=1S/C7H13NO/c1-3-6-5-9-8-7(6)4-2/h6H,3-5H2,1-2H3
InChIKeyNLEMLAQZPXXDIS-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.81
Rot. Bonds2

About 3,4-diethyl-4,5-dihydro-1,2-oxazole

3,4-diethyl-4,5-dihydro-1,2-oxazole (PubChem CID 123665575) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,4-diethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,4-diethyl-4,5-dihydro-1,2-oxazole
PubChem CID123665575
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3,4-diethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOCC1CC
InChIInChI=1S/C7H13NO/c1-3-6-5-9-8-7(6)4-2/h6H,3-5H2,1-2H3
InChIKeyNLEMLAQZPXXDIS-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,4-diethyl-4,5-dihydro-1,2-oxazole (CID 123665575) is 3,4-diethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,4-diethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,4-diethyl-4,5-dihydro-1,2-oxazole is CCC1=NOCC1CC.
What is the InChIKey of 3,4-diethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NLEMLAQZPXXDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6-5-9-8-7(6)4-2/h6H,3-5H2,1-2H3.
What are the key properties of 3,4-diethyl-4,5-dihydro-1,2-oxazole?
3,4-diethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123665575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).