[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone

C19H16N4O3 — CID 124759258

IUPAC[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CC[C@H](c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C19H16N4O3/c24-19(15-10-12-4-1-2-5-14(12)20-15)23-8-7-13(11-23)17-21-18(26-22-17)16-6-3-9-25-16/h1-6,9-10,13,20H,7-8,11H2/t13-/m0/s1
InChIKeyCIMWKHAHZDCVMR-ZDUSSCGKSA-N
MW348.36 g/mol
LogP3.44
Rot. Bonds3

About [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone

[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 124759258) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID124759258
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CC[C@H](c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C19H16N4O3/c24-19(15-10-12-4-1-2-5-14(12)20-15)23-8-7-13(11-23)17-21-18(26-22-17)16-6-3-9-25-16/h1-6,9-10,13,20H,7-8,11H2/t13-/m0/s1
InChIKeyCIMWKHAHZDCVMR-ZDUSSCGKSA-N
XLogP3.44
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 124892725
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 124761269
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019667
1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 50831443
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 124891903
[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 121019657
(E)-3-(furan-2-yl)-1-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 124891869
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
[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
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
[7-(furan-2-yl)-1,4-thiazepan-4-yl]-(1H-indol-2-yl)methanone
CID 90632059

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone (CID 124759258) is [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CC[C@H](c2noc(-c3ccco3)n2)C1.
What is the InChIKey of [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is CIMWKHAHZDCVMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-19(15-10-12-4-1-2-5-14(12)20-15)23-8-7-13(11-23)17-21-18(26-22-17)16-6-3-9-25-16/h1-6,9-10,13,20H,7-8,11H2/t13-/m0/s1.
What are the key properties of [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 348.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 124759258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).