5-tert-butyl-3,4-dichloro-1,2-oxazole

C7H9Cl2NO — CID 153131980

IUPAC5-tert-butyl-3,4-dichloro-1,2-oxazole
SMILESCC(C)(C)c1onc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2NO/c1-7(2,3)5-4(8)6(9)10-11-5/h1-3H3
InChIKeyVWXPOFBUVTUDEL-UHFFFAOYSA-N
MW194.06 g/mol
LogP3.28
Rot. Bonds

About 5-tert-butyl-3,4-dichloro-1,2-oxazole

5-tert-butyl-3,4-dichloro-1,2-oxazole (PubChem CID 153131980) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 5-tert-butyl-3,4-dichloro-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3,4-dichloro-1,2-oxazole
PubChem CID153131980
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name5-tert-butyl-3,4-dichloro-1,2-oxazole
SMILESCC(C)(C)c1onc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2NO/c1-7(2,3)5-4(8)6(9)10-11-5/h1-3H3
InChIKeyVWXPOFBUVTUDEL-UHFFFAOYSA-N
XLogP3.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,4-dichloro-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3,4-dichloro-1,2-oxazole (CID 153131980) is 5-tert-butyl-3,4-dichloro-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3,4-dichloro-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3,4-dichloro-1,2-oxazole is CC(C)(C)c1onc(Cl)c1Cl.
What is the InChIKey of 5-tert-butyl-3,4-dichloro-1,2-oxazole?
The InChIKey is VWXPOFBUVTUDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NO/c1-7(2,3)5-4(8)6(9)10-11-5/h1-3H3.
What are the key properties of 5-tert-butyl-3,4-dichloro-1,2-oxazole?
5-tert-butyl-3,4-dichloro-1,2-oxazole has a molecular weight of 194.06 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,4-dichloro-1,2-oxazole is sourced from PubChem (CID 153131980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).