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

C19H16N4O3 — CID 124892725

IUPAC[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CC[C@@H](c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C19H16N4O3/c24-19(14-3-1-4-15-13(14)6-8-20-15)23-9-7-12(11-23)17-21-18(26-22-17)16-5-2-10-25-16/h1-6,8,10,12,20H,7,9,11H2/t12-/m1/s1
InChIKeyVPGSCBZTQNJBFM-GFCCVEGCSA-N
MW348.36 g/mol
LogP3.44
Rot. Bonds3

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

[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone (PubChem CID 124892725) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
PubChem CID124892725
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CC[C@@H](c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C19H16N4O3/c24-19(14-3-1-4-15-13(14)6-8-20-15)23-9-7-12(11-23)17-21-18(26-22-17)16-5-2-10-25-16/h1-6,8,10,12,20H,7,9,11H2/t12-/m1/s1
InChIKeyVPGSCBZTQNJBFM-GFCCVEGCSA-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

[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124759258
1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 91920631
[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
(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
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019667
[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
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
1H-indol-4-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908598

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The IUPAC name of [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone (CID 124892725) is [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone is O=C(c1cccc2[nH]ccc12)N1CC[C@@H](c2noc(-c3ccco3)n2)C1.
What is the InChIKey of [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The InChIKey is VPGSCBZTQNJBFM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-19(14-3-1-4-15-13(14)6-8-20-15)23-9-7-12(11-23)17-21-18(26-22-17)16-5-2-10-25-16/h1-6,8,10,12,20H,7,9,11H2/t12-/m1/s1.
What are the key properties of [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-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 [(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone is sourced from PubChem (CID 124892725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).