argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol

C39H70Ar3N8O11 — CID 160788298

About argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol

argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol (PubChem CID 160788298) has the molecular formula C39H70Ar3N8O11 and a molecular weight of 946.88 g/mol. Its IUPAC name is argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol.

Molecular Properties

• Compound Name: argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol
• PubChem CID: 160788298
• Molecular Formula: C39H70Ar3N8O11
• Molecular Weight: 946.88 g/mol
• Exact Mass: 946.40
• IUPAC Name: argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol
• SMILES: CC.CC(C)C.CC(C)c1cc(CO)on1.CC(C)c1nc(CO)no1.CC(C)c1nnc(C(O)CO)o1.CC(C)c1noc(CO)n1.CC(C)c1ocnc1CO.[Ar].[Ar].[Ar]
• InChI: InChI=1S/C7H12N2O3.2C7H11NO2.2C6H10N2O2.C4H10.C2H6.3Ar/c1-4(2)6-8-9-7(12-6)5(11)3-10;1-5(2)7-6(3-9)8-4-10-7;1-5(2)7-3-6(4-9)10-8-7;1-4(2)6-7-5(3-9)10-8-6;1-4(2)6-7-5(3-9)8-10-6;1-4(2)3;1-2;;;/h4-5,10-11H,3H2,1-2H3;4-5,9H,3H2,1-2H3;3,5,9H,4H2,1-2H3;2*4,9H,3H2,1-2H3;4H,1-3H3;1-2H3
• InChIKey: SBMRCTSFENKHGT-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 290.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	946.88
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol?

The IUPAC name of argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol (CID 160788298) is argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol.

What is the SMILES notation for argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol?

The canonical SMILES for argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol is CC.CC(C)C.CC(C)c1cc(CO)on1.CC(C)c1nc(CO)no1.CC(C)c1nnc(C(O)CO)o1.CC(C)c1noc(CO)n1.CC(C)c1ocnc1CO.[Ar].[Ar].[Ar].

What is the InChIKey of argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol?

The InChIKey is SBMRCTSFENKHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3.2C7H11NO2.2C6H10N2O2.C4H10.C2H6.3Ar/c1-4(2)6-8-9-7(12-6)5(11)3-10;1-5(2)7-6(3-9)8-4-10-7;1-5(2)7-3-6(4-9)10-8-7;1-4(2)6-7-5(3-9)10-8-6;1-4(2)6-7-5(3-9)8-10-6;1-4(2)3;1-2;;;/h4-5,10-11H,3H2,1-2H3;4-5,9H,3H2,1-2H3;3,5,9H,4H2,1-2H3;2*4,9H,3H2,1-2H3;4H,1-3H3;1-2H3;;;.

What are the key properties of argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol?

argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol has a molecular weight of 946.88 g/mol, XLogP of 6.86, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for argon;ethane;2-methylpropane;1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diol;(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol;(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol;(3-propan-2-yl-1,2-oxazol-5-yl)methanol;(5-propan-2-yl-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 160788298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).