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

C18H24N4O2 — CID 53159444

IUPACN-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1
InChIInChI=1S/C18H24N4O2/c1-2-8-16(23)19-15(13-14-9-4-3-5-10-14)17-20-21-18(24-17)22-11-6-7-12-22/h3-5,9-10,15H,2,6-8,11-13H2,1H3,(H,19,23)
InChIKeySUCVJOQHHWDYCX-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.87
Rot. Bonds7

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

N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide (PubChem CID 53159444) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
PubChem CID53159444
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1
InChIInChI=1S/C18H24N4O2/c1-2-8-16(23)19-15(13-14-9-4-3-5-10-14)17-20-21-18(24-17)22-11-6-7-12-22/h3-5,9-10,15H,2,6-8,11-13H2,1H3,(H,19,23)
InChIKeySUCVJOQHHWDYCX-UHFFFAOYSA-N
XLogP2.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide (CID 53159444) is N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide is CCCC(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1.
What is the InChIKey of N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The InChIKey is SUCVJOQHHWDYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-8-16(23)19-15(13-14-9-4-3-5-10-14)17-20-21-18(24-17)22-11-6-7-12-22/h3-5,9-10,15H,2,6-8,11-13H2,1H3,(H,19,23).
What are the key properties of N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide has a molecular weight of 328.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 53159444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).