2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol

C23H26N2O5 — CID 123650435

About 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol

2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 123650435) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 123650435
• Molecular Formula: C23H26N2O5
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.18
• IUPAC Name: 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
• SMILES: CCc1c(-c2ccc(-c3nnc(C)o3)cc2)cccc1C1OC(CO)CC(O)C1O
• InChI: InChI=1S/C23H26N2O5/c1-3-17-18(14-7-9-15(10-8-14)23-25-24-13(2)29-23)5-4-6-19(17)22-21(28)20(27)11-16(12-26)30-22/h4-10,16,20-22,26-28H,3,11-12H2,1-2H3
• InChIKey: AHTDVPZBVLHZLL-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 108.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol (CID 123650435) is 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol is CCc1c(-c2ccc(-c3nnc(C)o3)cc2)cccc1C1OC(CO)CC(O)C1O.

What is the InChIKey of 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is AHTDVPZBVLHZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-3-17-18(14-7-9-15(10-8-14)23-25-24-13(2)29-23)5-4-6-19(17)22-21(28)20(27)11-16(12-26)30-22/h4-10,16,20-22,26-28H,3,11-12H2,1-2H3.

What are the key properties of 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol?

2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 410.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-ethyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 123650435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).