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

C20H19N5O3 — CID 135428867

IUPAC[3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCCC(c2noc(-c3cc4ccccc4[nH]3)n2)C1
InChIInChI=1S/C20H19N5O3/c1-12-15(10-21-27-12)20(26)25-8-4-6-14(11-25)18-23-19(28-24-18)17-9-13-5-2-3-7-16(13)22-17/h2-3,5,7,9-10,14,22H,4,6,8,11H2,1H3
InChIKeyQXKOTZWHZBKENM-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.53
Rot. Bonds3

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

[3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 135428867) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID135428867
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name[3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCCC(c2noc(-c3cc4ccccc4[nH]3)n2)C1
InChIInChI=1S/C20H19N5O3/c1-12-15(10-21-27-12)20(26)25-8-4-6-14(11-25)18-23-19(28-24-18)17-9-13-5-2-3-7-16(13)22-17/h2-3,5,7,9-10,14,22H,4,6,8,11H2,1H3
InChIKeyQXKOTZWHZBKENM-UHFFFAOYSA-N
XLogP3.53
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68934769
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124759258
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68925744
(2-methylfuran-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734449
1,3-benzodioxol-4-yl-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734307
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013
1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 50831443
4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 94570308
(4-fluoro-2-methylphenyl)-[3-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone;(6-fluoro-3-pyridinyl)-[3-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 158731136
[3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 143331226

Frequently Asked Questions

What is the IUPAC name of [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 135428867) is [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CCCC(c2noc(-c3cc4ccccc4[nH]3)n2)C1.
What is the InChIKey of [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is QXKOTZWHZBKENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-15(10-21-27-12)20(26)25-8-4-6-14(11-25)18-23-19(28-24-18)17-9-13-5-2-3-7-16(13)22-17/h2-3,5,7,9-10,14,22H,4,6,8,11H2,1H3.
What are the key properties of [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 377.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 135428867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).