1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one

C14H21N3O3 — CID 72936245

IUPAC1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one
SMILESO=C1CCCCN1CCCc1nc(C2CCOC2)no1
InChIInChI=1S/C14H21N3O3/c18-13-5-1-2-7-17(13)8-3-4-12-15-14(16-20-12)11-6-9-19-10-11/h11H,1-10H2
InChIKeyGLUOJFQUGSGWMQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds5

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

1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one (PubChem CID 72936245) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one
PubChem CID72936245
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one
SMILESO=C1CCCCN1CCCc1nc(C2CCOC2)no1
InChIInChI=1S/C14H21N3O3/c18-13-5-1-2-7-17(13)8-3-4-12-15-14(16-20-12)11-6-9-19-10-11/h11H,1-10H2
InChIKeyGLUOJFQUGSGWMQ-UHFFFAOYSA-N
XLogP1.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
CID 72861593
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 29213543
1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 97443276
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434091
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
CID 28872437
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one
CID 97434115
3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one
CID 97454852
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
N-[3-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 97437505
3-[(3S)-oxolan-3-yl]-5-[3-(4-propan-2-ylphenyl)propyl]-1,2,4-oxadiazole
CID 97436367

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one?
The IUPAC name of 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one (CID 72936245) is 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one?
The canonical SMILES for 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one is O=C1CCCCN1CCCc1nc(C2CCOC2)no1.
What is the InChIKey of 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one?
The InChIKey is GLUOJFQUGSGWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13-5-1-2-7-17(13)8-3-4-12-15-14(16-20-12)11-6-9-19-10-11/h11H,1-10H2.
What are the key properties of 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one?
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one is sourced from PubChem (CID 72936245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).