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

C20H19N3O3 — CID 121019657

IUPAC[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(c2noc(-c3ccco3)n2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O3/c24-19(20(9-10-20)15-5-2-1-3-6-15)23-11-8-14(13-23)17-21-18(26-22-17)16-7-4-12-25-16/h1-7,12,14H,8-11,13H2
InChIKeyIQWDWJBPIFYFDQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.38
Rot. Bonds4

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

[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 121019657) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID121019657
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(c2noc(-c3ccco3)n2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O3/c24-19(20(9-10-20)15-5-2-1-3-6-15)23-11-8-14(13-23)17-21-18(26-22-17)16-7-4-12-25-16/h1-7,12,14H,8-11,13H2
InChIKeyIQWDWJBPIFYFDQ-UHFFFAOYSA-N
XLogP3.38
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 91915215
(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
(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
[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124759258
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019667
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110259293
[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 124892725
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
[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
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201

Frequently Asked Questions

What is the IUPAC name of [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 121019657) is [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCC(c2noc(-c3ccco3)n2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is IQWDWJBPIFYFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(20(9-10-20)15-5-2-1-3-6-15)23-11-8-14(13-23)17-21-18(26-22-17)16-7-4-12-25-16/h1-7,12,14H,8-11,13H2.
What are the key properties of [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 349.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 121019657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).