Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole

Name: Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₃H₅₇N₃O₂S — CID 158504821

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACbis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole

SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1

InChIInChI=1S/2C11H19NO.C11H19NS/c2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h3*7H,1-6H3

InChIKeyHKIMGWDHRUGPKF-UHFFFAOYSA-N

MW559.91 g/mol

LogP10.28

Rot. Bonds

About Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole

Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole (PubChem CID 158504821) has the molecular formula C₃₃H₅₇N₃O₂S and a molecular weight of 559.91 g/mol. Its IUPAC name is bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole.

Molecular Properties

Compound Name	Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
PubChem CID	158504821
Molecular Formula	C₃₃H₅₇N₃O₂S
Molecular Weight	559.91 g/mol
Exact Mass	559.42
IUPAC Name	bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
SMILES	CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1
InChI	InChI=1S/2C11H19NO.C11H19NS/c21-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h37H,1-6H3
InChIKey	HKIMGWDHRUGPKF-UHFFFAOYSA-N
XLogP	10.28
TPSA	64.95 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.91
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole?

The IUPAC name of Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole (CID 158504821) is bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole.

What is the SMILES notation for Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole?

The canonical SMILES for Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1.

What is the InChIKey of Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole?

The InChIKey is HKIMGWDHRUGPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19NO.C11H19NS/c2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h3*7H,1-6H3.

What are the key properties of Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole?

Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole has a molecular weight of 559.91 g/mol, XLogP of 10.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole is sourced from PubChem (CID 158504821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158504821 — identifiers, structure, computed properties (public domain)

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