4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one

C20H21N5O2 — CID 26402764

IUPAC4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CCN1
InChIInChI=1S/C20H21N5O2/c26-19-14-25(12-11-21-19)18-10-9-16(13-22-18)20-23-17(24-27-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-10,13H,4,7-8,11-12,14H2,(H,21,26)
InChIKeyMPGJJDURCXTDDH-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.24
Rot. Bonds6

About 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one

4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one (PubChem CID 26402764) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
PubChem CID26402764
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CCN1
InChIInChI=1S/C20H21N5O2/c26-19-14-25(12-11-21-19)18-10-9-16(13-22-18)20-23-17(24-27-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-10,13H,4,7-8,11-12,14H2,(H,21,26)
InChIKeyMPGJJDURCXTDDH-UHFFFAOYSA-N
XLogP2.24
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one with MolForge

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Related Compounds

1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 95729450
5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 95896088
5-(6-piperazin-1-yl-3-pyridinyl)-3-propyl-1,2,4-oxadiazole
CID 56686529
N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 45191025
1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one
CID 45182259
[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 42458820
5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 70706972
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142
4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 66828369
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45207093
N-[(3S)-oxan-3-yl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 95895754

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one (CID 26402764) is 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one is O=C1CN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CCN1.
What is the InChIKey of 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one?
The InChIKey is MPGJJDURCXTDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19-14-25(12-11-21-19)18-10-9-16(13-22-18)20-23-17(24-27-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-10,13H,4,7-8,11-12,14H2,(H,21,26).
What are the key properties of 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one?
4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 26402764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).