2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole

C12H6N4O2S2 — CID 141203004

IUPAC2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole
SMILESc1coc(-c2snc(-c3ccon3)c2-c2nccs2)n1
InChIInChI=1S/C12H6N4O2S2/c1-4-18-15-7(1)9-8(12-14-3-6-19-12)10(20-16-9)11-13-2-5-17-11/h1-6H
InChIKeyLIJXFYJXKVAIBR-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.58
Rot. Bonds3

About 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole

2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole (PubChem CID 141203004) has the molecular formula C12H6N4O2S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole
PubChem CID141203004
Molecular FormulaC12H6N4O2S2
Molecular Weight302.34 g/mol
Exact Mass301.99
IUPAC Name2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole
SMILESc1coc(-c2snc(-c3ccon3)c2-c2nccs2)n1
InChIInChI=1S/C12H6N4O2S2/c1-4-18-15-7(1)9-8(12-14-3-6-19-12)10(20-16-9)11-13-2-5-17-11/h1-6H
InChIKeyLIJXFYJXKVAIBR-UHFFFAOYSA-N
XLogP3.58
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole (CID 141203004) is 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole is c1coc(-c2snc(-c3ccon3)c2-c2nccs2)n1.
What is the InChIKey of 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole?
The InChIKey is LIJXFYJXKVAIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4O2S2/c1-4-18-15-7(1)9-8(12-14-3-6-19-12)10(20-16-9)11-13-2-5-17-11/h1-6H.
What are the key properties of 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole?
2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole has a molecular weight of 302.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 141203004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).