N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H20N4O2 — CID 166099671

IUPACN-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C20H20N4O2/c1-13(19(25)22-12-14-5-3-2-4-6-14)20-23-18(24-26-20)16-9-10-21-17(11-16)15-7-8-15/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,22,25)
InChIKeyAAYQIJXYXDAHBP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.43
Rot. Bonds6

About N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide

N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 166099671) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID166099671
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C20H20N4O2/c1-13(19(25)22-12-14-5-3-2-4-6-14)20-23-18(24-26-20)16-9-10-21-17(11-16)15-7-8-15/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,22,25)
InChIKeyAAYQIJXYXDAHBP-UHFFFAOYSA-N
XLogP3.43
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 166099671) is N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C(=O)NCc1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1.
What is the InChIKey of N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is AAYQIJXYXDAHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(19(25)22-12-14-5-3-2-4-6-14)20-23-18(24-26-20)16-9-10-21-17(11-16)15-7-8-15/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,22,25).
What are the key properties of N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 348.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 166099671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).