4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole

C7H13NO — CID 59735474

IUPAC4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1C(C)=NOC1C
InChIInChI=1S/C7H13NO/c1-4-7-5(2)8-9-6(7)3/h6-7H,4H2,1-3H3
InChIKeyKTVVBQLJYBXLDQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.81
Rot. Bonds1

About 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole

4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole (PubChem CID 59735474) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole
PubChem CID59735474
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1C(C)=NOC1C
InChIInChI=1S/C7H13NO/c1-4-7-5(2)8-9-6(7)3/h6-7H,4H2,1-3H3
InChIKeyKTVVBQLJYBXLDQ-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole (CID 59735474) is 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole is CCC1C(C)=NOC1C.
What is the InChIKey of 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is KTVVBQLJYBXLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7-5(2)8-9-6(7)3/h6-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole?
4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59735474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).