2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole

C20H11N7O2S2 — CID 174810116

IUPAC2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole
SMILESc1cc(-c2nc(-c3ccon3)c(-c3ncco3)c(-c3ccsn3)c2-c2nccs2)[nH]n1
InChIInChI=1S/C20H11N7O2S2/c1-4-23-25-12(1)17-16(20-22-6-10-30-20)14(11-3-9-31-27-11)15(19-21-5-8-28-19)18(24-17)13-2-7-29-26-13/h1-10H,(H,23,25)
InChIKeyQJBQZAMFIXSETA-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.03
Rot. Bonds5

About 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole

2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole (PubChem CID 174810116) has the molecular formula C20H11N7O2S2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole
PubChem CID174810116
Molecular FormulaC20H11N7O2S2
Molecular Weight445.49 g/mol
Exact Mass445.04
IUPAC Name2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole
SMILESc1cc(-c2nc(-c3ccon3)c(-c3ncco3)c(-c3ccsn3)c2-c2nccs2)[nH]n1
InChIInChI=1S/C20H11N7O2S2/c1-4-23-25-12(1)17-16(20-22-6-10-30-20)14(11-3-9-31-27-11)15(19-21-5-8-28-19)18(24-17)13-2-7-29-26-13/h1-10H,(H,23,25)
InChIKeyQJBQZAMFIXSETA-UHFFFAOYSA-N
XLogP5.03
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole (CID 174810116) is 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole is c1cc(-c2nc(-c3ccon3)c(-c3ncco3)c(-c3ccsn3)c2-c2nccs2)[nH]n1.
What is the InChIKey of 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole?
The InChIKey is QJBQZAMFIXSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N7O2S2/c1-4-23-25-12(1)17-16(20-22-6-10-30-20)14(11-3-9-31-27-11)15(19-21-5-8-28-19)18(24-17)13-2-7-29-26-13/h1-10H,(H,23,25).
What are the key properties of 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole?
2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole has a molecular weight of 445.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 174810116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).