[3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid

C23H25N3O5 — CID 174239001

About [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid

[3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid (PubChem CID 174239001) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid.

Molecular Properties

• Compound Name: [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
• PubChem CID: 174239001
• Molecular Formula: C23H25N3O5
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.18
• IUPAC Name: [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
• SMILES: Cc1nnc(Oc2ccc(C(C)(C)c3ccc(OC4CC(NC(=O)O)C4)cc3)cc2)o1
• InChI: InChI=1S/C23H25N3O5/c1-14-25-26-22(29-14)31-19-10-6-16(7-11-19)23(2,3)15-4-8-18(9-5-15)30-20-12-17(13-20)24-21(27)28/h4-11,17,20,24H,12-13H2,1-3H3,(H,27,28)
• InChIKey: PXGVGCXXEPQFOI-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 106.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid?

The IUPAC name of [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid (CID 174239001) is [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid.

What is the SMILES notation for [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid?

The canonical SMILES for [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid is Cc1nnc(Oc2ccc(C(C)(C)c3ccc(OC4CC(NC(=O)O)C4)cc3)cc2)o1.

What is the InChIKey of [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid?

The InChIKey is PXGVGCXXEPQFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-14-25-26-22(29-14)31-19-10-6-16(7-11-19)23(2,3)15-4-8-18(9-5-15)30-20-12-17(13-20)24-21(27)28/h4-11,17,20,24H,12-13H2,1-3H3,(H,27,28).

What are the key properties of [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid?

[3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid has a molecular weight of 423.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 174239001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).