2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C19H21N5O3 — CID 72883187

IUPAC2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C2(CCN(c3nnc(C4CCC4)o3)C2)c2ccccc21
InChIInChI=1S/C19H21N5O3/c20-15(25)10-24-14-7-2-1-6-13(14)19(17(24)26)8-9-23(11-19)18-22-21-16(27-18)12-4-3-5-12/h1-2,6-7,12H,3-5,8-11H2,(H2,20,25)
InChIKeyUMVCGQNGXWVHCD-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.32
Rot. Bonds4

About 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 72883187) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID72883187
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C2(CCN(c3nnc(C4CCC4)o3)C2)c2ccccc21
InChIInChI=1S/C19H21N5O3/c20-15(25)10-24-14-7-2-1-6-13(14)19(17(24)26)8-9-23(11-19)18-22-21-16(27-18)12-4-3-5-12/h1-2,6-7,12H,3-5,8-11H2,(H2,20,25)
InChIKeyUMVCGQNGXWVHCD-UHFFFAOYSA-N
XLogP1.32
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 72883187) is 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is NC(=O)CN1C(=O)C2(CCN(c3nnc(C4CCC4)o3)C2)c2ccccc21.
What is the InChIKey of 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is UMVCGQNGXWVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c20-15(25)10-24-14-7-2-1-6-13(14)19(17(24)26)8-9-23(11-19)18-22-21-16(27-18)12-4-3-5-12/h1-2,6-7,12H,3-5,8-11H2,(H2,20,25).
What are the key properties of 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 72883187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).