3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole

C8H8N2OS — CID 22887957

IUPAC3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1cc(-c2csc(C)n2)on1
InChIInChI=1S/C8H8N2OS/c1-5-3-8(11-10-5)7-4-12-6(2)9-7/h3-4H,1-2H3
InChIKeyFEHCGMCMBSCPKU-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.41
Rot. Bonds1

About 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole

3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 22887957) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID22887957
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1cc(-c2csc(C)n2)on1
InChIInChI=1S/C8H8N2OS/c1-5-3-8(11-10-5)7-4-12-6(2)9-7/h3-4H,1-2H3
InChIKeyFEHCGMCMBSCPKU-UHFFFAOYSA-N
XLogP2.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole (CID 22887957) is 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole is Cc1cc(-c2csc(C)n2)on1.
What is the InChIKey of 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is FEHCGMCMBSCPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-3-8(11-10-5)7-4-12-6(2)9-7/h3-4H,1-2H3.
What are the key properties of 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole?
3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole has a molecular weight of 180.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 22887957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).