5-tert-butyl-3-chloro-1,2-oxazole

C7H10ClNO — CID 84650983

IUPAC5-tert-butyl-3-chloro-1,2-oxazole
SMILESCC(C)(C)c1cc(Cl)no1
InChIInChI=1S/C7H10ClNO/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3
InChIKeyWCPFUBDCGNHGNE-UHFFFAOYSA-N
MW159.62 g/mol
LogP2.63
Rot. Bonds

About 5-tert-butyl-3-chloro-1,2-oxazole

5-tert-butyl-3-chloro-1,2-oxazole (PubChem CID 84650983) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-1,2-oxazole
PubChem CID84650983
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name5-tert-butyl-3-chloro-1,2-oxazole
SMILESCC(C)(C)c1cc(Cl)no1
InChIInChI=1S/C7H10ClNO/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3
InChIKeyWCPFUBDCGNHGNE-UHFFFAOYSA-N
XLogP2.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 52.63
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-chloro-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-chloro-1,2-oxazole (CID 84650983) is 5-tert-butyl-3-chloro-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-chloro-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-chloro-1,2-oxazole is CC(C)(C)c1cc(Cl)no1.
What is the InChIKey of 5-tert-butyl-3-chloro-1,2-oxazole?
The InChIKey is WCPFUBDCGNHGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3.
What are the key properties of 5-tert-butyl-3-chloro-1,2-oxazole?
5-tert-butyl-3-chloro-1,2-oxazole has a molecular weight of 159.62 g/mol, XLogP of 2.63, 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-chloro-1,2-oxazole is sourced from PubChem (CID 84650983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).