5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole

C10H12N2OS — CID 54428214

IUPAC5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(-c2cnco2)s1
InChIInChI=1S/C10H12N2OS/c1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7/h4-6H,1-3H3
InChIKeyYRGINHLUBZCNSB-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.10
Rot. Bonds1

About 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole

5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole (PubChem CID 54428214) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole
PubChem CID54428214
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(-c2cnco2)s1
InChIInChI=1S/C10H12N2OS/c1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7/h4-6H,1-3H3
InChIKeyYRGINHLUBZCNSB-UHFFFAOYSA-N
XLogP3.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole?
The IUPAC name of 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole (CID 54428214) is 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole.
What is the SMILES notation for 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole?
The canonical SMILES for 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole is CC(C)(C)c1ncc(-c2cnco2)s1.
What is the InChIKey of 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole?
The InChIKey is YRGINHLUBZCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7/h4-6H,1-3H3.
What are the key properties of 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole?
5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole has a molecular weight of 208.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole is sourced from PubChem (CID 54428214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).