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

C7H6N2OS — CID 54464191

IUPAC3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1cc(-c2cscn2)on1
InChIInChI=1S/C7H6N2OS/c1-5-2-7(10-9-5)6-3-11-4-8-6/h2-4H,1H3
InChIKeyDYHONDAHGNAUMZ-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.11
Rot. Bonds1

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

3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 54464191) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID54464191
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1cc(-c2cscn2)on1
InChIInChI=1S/C7H6N2OS/c1-5-2-7(10-9-5)6-3-11-4-8-6/h2-4H,1H3
InChIKeyDYHONDAHGNAUMZ-UHFFFAOYSA-N
XLogP2.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole (CID 54464191) is 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole is Cc1cc(-c2cscn2)on1.
What is the InChIKey of 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is DYHONDAHGNAUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-5-2-7(10-9-5)6-3-11-4-8-6/h2-4H,1H3.
What are the key properties of 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole?
3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole has a molecular weight of 166.20 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 54464191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).