3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

C16H23N5O2 — CID 95734905

IUPAC3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1nc([C@H]2CCCN(C(=O)CCn3ccnc3)C2)no1
InChIInChI=1S/C16H23N5O2/c1-12(2)16-18-15(19-23-16)13-4-3-7-21(10-13)14(22)5-8-20-9-6-17-11-20/h6,9,11-13H,3-5,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyVZDPRVCLQQQWKT-ZDUSSCGKSA-N
MW317.39 g/mol
LogP2.19
Rot. Bonds5

About 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 95734905) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID95734905
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1nc([C@H]2CCCN(C(=O)CCn3ccnc3)C2)no1
InChIInChI=1S/C16H23N5O2/c1-12(2)16-18-15(19-23-16)13-4-3-7-21(10-13)14(22)5-8-20-9-6-17-11-20/h6,9,11-13H,3-5,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyVZDPRVCLQQQWKT-ZDUSSCGKSA-N
XLogP2.19
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylimidazol-1-yl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734906
3-imidazol-1-yl-1-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92580827
1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95734726
3-imidazol-1-yl-1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95779153
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
[(2S)-1-methylpiperidin-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765312
(2R)-2-phenyl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734769
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734898
3,4-dihydro-2H-pyran-5-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95760820
1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95779586

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one (CID 95734905) is 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one is CC(C)c1nc([C@H]2CCCN(C(=O)CCn3ccnc3)C2)no1.
What is the InChIKey of 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VZDPRVCLQQQWKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12(2)16-18-15(19-23-16)13-4-3-7-21(10-13)14(22)5-8-20-9-6-17-11-20/h6,9,11-13H,3-5,7-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 317.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95734905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).