3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine

C22H17N9O2S2 — CID 141283210

About 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine

3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine (PubChem CID 141283210) has the molecular formula C22H17N9O2S2 and a molecular weight of 503.57 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine
• PubChem CID: 141283210
• Molecular Formula: C22H17N9O2S2
• Molecular Weight: 503.57 g/mol
• Exact Mass: 503.09
• IUPAC Name: 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine
• SMILES: c1c[nH]c(C2(c3ccn[nH]3)C(c3ccsn3)ON(c3nccs3)C2(c2ncc[nH]2)c2ncco2)c1
• InChI: InChI=1S/C22H17N9O2S2/c1-2-15(23-5-1)21(16-3-6-28-29-16)17(14-4-12-35-30-14)33-31(20-27-10-13-34-20)22(21,18-24-7-8-25-18)19-26-9-11-32-19/h1-13,17,23H,(H,24,25)(H,28,29)
• InChIKey: HXPVJMLTEQRVLO-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 137.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine?

The IUPAC name of 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine (CID 141283210) is 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine.

What is the SMILES notation for 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine?

The canonical SMILES for 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine is c1c[nH]c(C2(c3ccn[nH]3)C(c3ccsn3)ON(c3nccs3)C2(c2ncc[nH]2)c2ncco2)c1.

What is the InChIKey of 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine?

The InChIKey is HXPVJMLTEQRVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N9O2S2/c1-2-15(23-5-1)21(16-3-6-28-29-16)17(14-4-12-35-30-14)33-31(20-27-10-13-34-20)22(21,18-24-7-8-25-18)19-26-9-11-32-19/h1-13,17,23H,(H,24,25)(H,28,29).

What are the key properties of 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine?

3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine has a molecular weight of 503.57 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine is sourced from PubChem (CID 141283210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).