1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one

C19H22N4O2 — CID 95779494

IUPAC1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
SMILESCCc1nc([C@@H]2CCCN2C(=O)CCn2ccc3ccccc32)no1
InChIInChI=1S/C19H22N4O2/c1-2-17-20-19(21-25-17)16-8-5-11-23(16)18(24)10-13-22-12-9-14-6-3-4-7-15(14)22/h3-4,6-7,9,12,16H,2,5,8,10-11,13H2,1H3/t16-/m0/s1
InChIKeyCFHAHQVYCCUOBV-INIZCTEOSA-N
MW338.41 g/mol
LogP3.34
Rot. Bonds5

About 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one

1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one (PubChem CID 95779494) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
PubChem CID95779494
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
SMILESCCc1nc([C@@H]2CCCN2C(=O)CCn2ccc3ccccc32)no1
InChIInChI=1S/C19H22N4O2/c1-2-17-20-19(21-25-17)16-8-5-11-23(16)18(24)10-13-22-12-9-14-6-3-4-7-15(14)22/h3-4,6-7,9,12,16H,2,5,8,10-11,13H2,1H3/t16-/m0/s1
InChIKeyCFHAHQVYCCUOBV-INIZCTEOSA-N
XLogP3.34
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779588
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,5-a]pyridin-1-yl)methanone
CID 95779824
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779512
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
CID 42920231
1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 31791984
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779273
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779278
1-[2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 91920652
3-indol-1-yl-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470511
(4S)-4-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95779786
3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 71899042
5-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyridin-2-one
CID 95779287

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one (CID 95779494) is 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one is CCc1nc([C@@H]2CCCN2C(=O)CCn2ccc3ccccc32)no1.
What is the InChIKey of 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one?
The InChIKey is CFHAHQVYCCUOBV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-17-20-19(21-25-17)16-8-5-11-23(16)18(24)10-13-22-12-9-14-6-3-4-7-15(14)22/h3-4,6-7,9,12,16H,2,5,8,10-11,13H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one?
1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one has a molecular weight of 338.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one is sourced from PubChem (CID 95779494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).