1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C18H21N5O2 — CID 95734887

IUPAC1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nc([C@H]2CCCN(C(=O)c3cccc4cn[nH]c34)C2)no1
InChIInChI=1S/C18H21N5O2/c1-11(2)17-20-16(22-25-17)13-6-4-8-23(10-13)18(24)14-7-3-5-12-9-19-21-15(12)14/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyFDDRLNRMCNLJSA-ZDUSSCGKSA-N
MW339.40 g/mol
LogP3.09
Rot. Bonds3

About 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95734887) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID95734887
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nc([C@H]2CCCN(C(=O)c3cccc4cn[nH]c34)C2)no1
InChIInChI=1S/C18H21N5O2/c1-11(2)17-20-16(22-25-17)13-6-4-8-23(10-13)18(24)14-7-3-5-12-9-19-21-15(12)14/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyFDDRLNRMCNLJSA-ZDUSSCGKSA-N
XLogP3.09
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765310
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
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734693
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95740587
(2R)-2-phenyl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734769
(2S)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773712
[(2S)-1-methylpiperidin-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765312
1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170
(3R)-1-(1H-indazole-7-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52503770
1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95734726

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 95734887) is 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is CC(C)c1nc([C@H]2CCCN(C(=O)c3cccc4cn[nH]c34)C2)no1.
What is the InChIKey of 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is FDDRLNRMCNLJSA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)17-20-16(22-25-17)13-6-4-8-23(10-13)18(24)14-7-3-5-12-9-19-21-15(12)14/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95734887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).