[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone

C16H16N4O2 — CID 42568916

IUPAC[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccc3[nH]ccc3c2)no1)N1CCCCC1
InChIInChI=1S/C16H16N4O2/c21-16(20-8-2-1-3-9-20)15-18-14(19-22-15)12-4-5-13-11(10-12)6-7-17-13/h4-7,10,17H,1-3,8-9H2
InChIKeyMKABSEHGZUPUBN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.84
Rot. Bonds2

About [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone

[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 42568916) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID42568916
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccc3[nH]ccc3c2)no1)N1CCCCC1
InChIInChI=1S/C16H16N4O2/c21-16(20-8-2-1-3-9-20)15-18-14(19-22-15)12-4-5-13-11(10-12)6-7-17-13/h4-7,10,17H,1-3,8-9H2
InChIKeyMKABSEHGZUPUBN-UHFFFAOYSA-N
XLogP2.84
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53031173
3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42568930
(2S)-2-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 121256694
N-(2,6-dimethylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53204995
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 53205187
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71701015
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-cyclohexyl-2-methylbenzenesulfonamide
CID 53205144
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 11257794
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665
[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
CID 53205049
N-(3-chloro-4-methylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205011

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone (CID 42568916) is [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone is O=C(c1nc(-c2ccc3[nH]ccc3c2)no1)N1CCCCC1.
What is the InChIKey of [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is MKABSEHGZUPUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(20-8-2-1-3-9-20)15-18-14(19-22-15)12-4-5-13-11(10-12)6-7-17-13/h4-7,10,17H,1-3,8-9H2.
What are the key properties of [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone?
[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 296.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42568916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).