1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone

C9H15NO2 — CID 102418662

IUPAC1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)C1=NOC(C(C)(C)C)C1
InChIInChI=1S/C9H15NO2/c1-6(11)7-5-8(12-10-7)9(2,3)4/h8H,5H2,1-4H3
InChIKeyNSDZXEIOPVAEHS-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.77
Rot. Bonds1

About 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone

1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone (PubChem CID 102418662) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
PubChem CID102418662
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)C1=NOC(C(C)(C)C)C1
InChIInChI=1S/C9H15NO2/c1-6(11)7-5-8(12-10-7)9(2,3)4/h8H,5H2,1-4H3
InChIKeyNSDZXEIOPVAEHS-UHFFFAOYSA-N
XLogP1.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone (CID 102418662) is 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone is CC(=O)C1=NOC(C(C)(C)C)C1.
What is the InChIKey of 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone?
The InChIKey is NSDZXEIOPVAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)7-5-8(12-10-7)9(2,3)4/h8H,5H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone?
1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone has a molecular weight of 169.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 102418662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).