4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide

C24H28N4O2 — CID 55686853

IUPAC4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
SMILESO=C(CCCc1nnc(-c2ccccc2)o1)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C24H28N4O2/c29-22(14-9-15-23-26-27-24(30-23)20-12-5-2-6-13-20)25-18-21(28-16-7-8-17-28)19-10-3-1-4-11-19/h1-6,10-13,21H,7-9,14-18H2,(H,25,29)
InChIKeyADHXWTUSSJINAZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.01
Rot. Bonds9

About 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide

4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 55686853) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
PubChem CID55686853
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
SMILESO=C(CCCc1nnc(-c2ccccc2)o1)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C24H28N4O2/c29-22(14-9-15-23-26-27-24(30-23)20-12-5-2-6-13-20)25-18-21(28-16-7-8-17-28)19-10-3-1-4-11-19/h1-6,10-13,21H,7-9,14-18H2,(H,25,29)
InChIKeyADHXWTUSSJINAZ-UHFFFAOYSA-N
XLogP4.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide (CID 55686853) is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide is O=C(CCCc1nnc(-c2ccccc2)o1)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is ADHXWTUSSJINAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-22(14-9-15-23-26-27-24(30-23)20-12-5-2-6-13-20)25-18-21(28-16-7-8-17-28)19-10-3-1-4-11-19/h1-6,10-13,21H,7-9,14-18H2,(H,25,29).
What are the key properties of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 404.51 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 55686853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).