5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole

C9H17NO — CID 58989825

IUPAC5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(C(C)(C)C)C1
InChIInChI=1S/C9H17NO/c1-5-7-6-8(11-10-7)9(2,3)4/h8H,5-6H2,1-4H3
InChIKeySYTHMFJHGNGVRC-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.59
Rot. Bonds1

About 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole

5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 58989825) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID58989825
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(C(C)(C)C)C1
InChIInChI=1S/C9H17NO/c1-5-7-6-8(11-10-7)9(2,3)4/h8H,5-6H2,1-4H3
InChIKeySYTHMFJHGNGVRC-UHFFFAOYSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole (CID 58989825) is 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole is CCC1=NOC(C(C)(C)C)C1.
What is the InChIKey of 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is SYTHMFJHGNGVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7-6-8(11-10-7)9(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole?
5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58989825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).