2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C19H21N5O4 — CID 95557588

IUPAC2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCCCc1nnc(C(=O)N2CC[C@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)o1
InChIInChI=1S/C19H21N5O4/c1-2-5-15-21-22-16(28-15)17(26)23-9-8-19(11-23)12-6-3-4-7-13(12)24(18(19)27)10-14(20)25/h3-4,6-7H,2,5,8-11H2,1H3,(H2,20,25)/t19-/m1/s1
InChIKeyPOKBZXCFPLFFLX-LJQANCHMSA-N
MW383.41 g/mol
LogP0.64
Rot. Bonds5

About 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 95557588) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID95557588
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCCCc1nnc(C(=O)N2CC[C@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)o1
InChIInChI=1S/C19H21N5O4/c1-2-5-15-21-22-16(28-15)17(26)23-9-8-19(11-23)12-6-3-4-7-13(12)24(18(19)27)10-14(20)25/h3-4,6-7H,2,5,8-11H2,1H3,(H2,20,25)/t19-/m1/s1
InChIKeyPOKBZXCFPLFFLX-LJQANCHMSA-N
XLogP0.64
TPSA122.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 95557588) is 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is CCCc1nnc(C(=O)N2CC[C@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)o1.
What is the InChIKey of 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is POKBZXCFPLFFLX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-2-5-15-21-22-16(28-15)17(26)23-9-8-19(11-23)12-6-3-4-7-13(12)24(18(19)27)10-14(20)25/h3-4,6-7H,2,5,8-11H2,1H3,(H2,20,25)/t19-/m1/s1.
What are the key properties of 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 95557588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).