[(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C16H25N3O3 — CID 124871179

IUPAC[(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC[C@H](C)c1noc([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1
InChIInChI=1S/C16H25N3O3/c1-3-11(2)14-17-15(22-18-14)12-6-4-8-19(10-12)16(20)13-7-5-9-21-13/h11-13H,3-10H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyUVHJHLWEYUZYKS-YNEHKIRRSA-N
MW307.39 g/mol
LogP2.47
Rot. Bonds4

About [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 124871179) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID124871179
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC[C@H](C)c1noc([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1
InChIInChI=1S/C16H25N3O3/c1-3-11(2)14-17-15(22-18-14)12-6-4-8-19(10-12)16(20)13-7-5-9-21-13/h11-13H,3-10H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyUVHJHLWEYUZYKS-YNEHKIRRSA-N
XLogP2.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 56728197
[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95277119
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 56686215
(E)-1-[(3S)-3-[3-[(2R)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984717
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 56686217
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91946535
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95132649
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
[(2R)-oxolan-2-yl]-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417973

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 124871179) is [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1.
What is the InChIKey of [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is UVHJHLWEYUZYKS-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-11(2)14-17-15(22-18-14)12-6-4-8-19(10-12)16(20)13-7-5-9-21-13/h11-13H,3-10H2,1-2H3/t11-,12+,13+/m0/s1.
What are the key properties of [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 307.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 124871179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).