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

C8H15NO — CID 23529034

IUPAC3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(C(C)(C)C)=NO1
InChIInChI=1S/C8H15NO/c1-6-5-7(9-10-6)8(2,3)4/h6H,5H2,1-4H3
InChIKeyLISXANZGDYFXLR-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.20
Rot. Bonds

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

3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 23529034) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID23529034
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(C(C)(C)C)=NO1
InChIInChI=1S/C8H15NO/c1-6-5-7(9-10-6)8(2,3)4/h6H,5H2,1-4H3
InChIKeyLISXANZGDYFXLR-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole (CID 23529034) is 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole is CC1CC(C(C)(C)C)=NO1.
What is the InChIKey of 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is LISXANZGDYFXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-5-7(9-10-6)8(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole?
3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 23529034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).