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

C11H6N6O2S — CID 91316470

IUPAC3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole
SMILESc1coc(-c2ncsc2-c2nocc2-c2cn[nH]n2)n1
InChIInChI=1S/C11H6N6O2S/c1-2-18-11(12-1)9-10(20-5-13-9)8-6(4-19-16-8)7-3-14-17-15-7/h1-5H,(H,14,15,17)
InChIKeyCBPRXKYYZJABKH-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.24
Rot. Bonds3

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

3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole (PubChem CID 91316470) has the molecular formula C11H6N6O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole
PubChem CID91316470
Molecular FormulaC11H6N6O2S
Molecular Weight286.28 g/mol
Exact Mass286.03
IUPAC Name3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole
SMILESc1coc(-c2ncsc2-c2nocc2-c2cn[nH]n2)n1
InChIInChI=1S/C11H6N6O2S/c1-2-18-11(12-1)9-10(20-5-13-9)8-6(4-19-16-8)7-3-14-17-15-7/h1-5H,(H,14,15,17)
InChIKeyCBPRXKYYZJABKH-UHFFFAOYSA-N
XLogP2.24
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole (CID 91316470) is 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole is c1coc(-c2ncsc2-c2nocc2-c2cn[nH]n2)n1.
What is the InChIKey of 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole?
The InChIKey is CBPRXKYYZJABKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6O2S/c1-2-18-11(12-1)9-10(20-5-13-9)8-6(4-19-16-8)7-3-14-17-15-7/h1-5H,(H,14,15,17).
What are the key properties of 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole?
3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole has a molecular weight of 286.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 91316470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).