4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole

C18H10N14O2S2 — CID 141050977

About 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole

4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole (PubChem CID 141050977) has the molecular formula C18H10N14O2S2 and a molecular weight of 518.51 g/mol. Its IUPAC name is 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole
• PubChem CID: 141050977
• Molecular Formula: C18H10N14O2S2
• Molecular Weight: 518.51 g/mol
• Exact Mass: 518.06
• IUPAC Name: 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole
• SMILES: c1cc(N2C(c3ccsn3)=C(c3conn3)C(c3cn[nH]n3)=C(c3nn[nH]n3)C2c2csnn2)no1
• InChI: InChI=1S/C18H10N14O2S2/c1-3-33-25-12(1)32-16(8-2-4-35-26-8)14(10-6-34-30-21-10)13(9-5-19-27-20-9)15(18-23-28-29-24-18)17(32)11-7-36-31-22-11/h1-7,17H,(H,19,20,27)(H,23,24,28,29)
• InChIKey: XKUAGBFWIQHMNC-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 202.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole?

The IUPAC name of 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole (CID 141050977) is 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole.

What is the SMILES notation for 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole?

The canonical SMILES for 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole is c1cc(N2C(c3ccsn3)=C(c3conn3)C(c3cn[nH]n3)=C(c3nn[nH]n3)C2c2csnn2)no1.

What is the InChIKey of 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole?

The InChIKey is XKUAGBFWIQHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N14O2S2/c1-3-33-25-12(1)32-16(8-2-4-35-26-8)14(10-6-34-30-21-10)13(9-5-19-27-20-9)15(18-23-28-29-24-18)17(32)11-7-36-31-22-11/h1-7,17H,(H,19,20,27)(H,23,24,28,29).

What are the key properties of 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole?

4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole has a molecular weight of 518.51 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(1,2-oxazol-3-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole is sourced from PubChem (CID 141050977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).