1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one

C17H20N4O2 — CID 167832242

IUPAC1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C17H20N4O2/c22-15-4-2-10-21(15)14-7-5-12(6-8-14)17-19-16(20-23-17)13-3-1-9-18-11-13/h5-8,13,18H,1-4,9-11H2
InChIKeyLYNMKCDDNNOAAH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one

1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 167832242) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
PubChem CID167832242
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C17H20N4O2/c22-15-4-2-10-21(15)14-7-5-12(6-8-14)17-19-16(20-23-17)13-3-1-9-18-11-13/h5-8,13,18H,1-4,9-11H2
InChIKeyLYNMKCDDNNOAAH-UHFFFAOYSA-N
XLogP2.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 120852057
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 120960456
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 114040481
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
5-(3-methyl-4-nitrophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 104637697

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one (CID 167832242) is 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2nc(C3CCCNC3)no2)cc1.
What is the InChIKey of 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one?
The InChIKey is LYNMKCDDNNOAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15-4-2-10-21(15)14-7-5-12(6-8-14)17-19-16(20-23-17)13-3-1-9-18-11-13/h5-8,13,18H,1-4,9-11H2.
What are the key properties of 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one?
1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167832242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).