3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide

C19H26N4O2 — CID 53159434

IUPAC3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1
InChIInChI=1S/C19H26N4O2/c1-14(2)12-17(24)20-16(13-15-8-4-3-5-9-15)18-21-22-19(25-18)23-10-6-7-11-23/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,20,24)
InChIKeyCSGSLQWKOQMZFU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.12
Rot. Bonds7

About 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide

3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide (PubChem CID 53159434) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
PubChem CID53159434
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1
InChIInChI=1S/C19H26N4O2/c1-14(2)12-17(24)20-16(13-15-8-4-3-5-9-15)18-21-22-19(25-18)23-10-6-7-11-23/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,20,24)
InChIKeyCSGSLQWKOQMZFU-UHFFFAOYSA-N
XLogP3.12
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide (CID 53159434) is 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide is CC(C)CC(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1.
What is the InChIKey of 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The InChIKey is CSGSLQWKOQMZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)12-17(24)20-16(13-15-8-4-3-5-9-15)18-21-22-19(25-18)23-10-6-7-11-23/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,20,24).
What are the key properties of 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide has a molecular weight of 342.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 53159434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).