4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole

C12H16N2OS — CID 69116242

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H16N2OS/c1-7-10(8(2)15-14-7)11-13-9(6-16-11)12(3,4)5/h6H,1-5H3
InChIKeyZMGYGUMXKWUPEM-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.71
Rot. Bonds1

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole

4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 69116242) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID69116242
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H16N2OS/c1-7-10(8(2)15-14-7)11-13-9(6-16-11)12(3,4)5/h6H,1-5H3
InChIKeyZMGYGUMXKWUPEM-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole (CID 69116242) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZMGYGUMXKWUPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7-10(8(2)15-14-7)11-13-9(6-16-11)12(3,4)5/h6H,1-5H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole?
4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 236.34 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 69116242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).