1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

C16H14N4O3 — CID 71689644

IUPAC1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2nc(-c3cccnc3)no2)N1Cc1ccco1
InChIInChI=1S/C16H14N4O3/c21-14-6-5-13(20(14)10-12-4-2-8-22-12)16-18-15(19-23-16)11-3-1-7-17-9-11/h1-4,7-9,13H,5-6,10H2
InChIKeyUNOPGSLNIPAPAR-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.59
Rot. Bonds4

About 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 71689644) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID71689644
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2nc(-c3cccnc3)no2)N1Cc1ccco1
InChIInChI=1S/C16H14N4O3/c21-14-6-5-13(20(14)10-12-4-2-8-22-12)16-18-15(19-23-16)11-3-1-7-17-9-11/h1-4,7-9,13H,5-6,10H2
InChIKeyUNOPGSLNIPAPAR-UHFFFAOYSA-N
XLogP2.59
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 71689643
(3R)-1-(furan-2-ylmethyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97203305
1-(furan-2-ylmethyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 72909372
N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 95126219
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
1-(pyridin-4-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506891
(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743994
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 71689644) is 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is O=C1CCC(c2nc(-c3cccnc3)no2)N1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is UNOPGSLNIPAPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-14-6-5-13(20(14)10-12-4-2-8-22-12)16-18-15(19-23-16)11-3-1-7-17-9-11/h1-4,7-9,13H,5-6,10H2.
What are the key properties of 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 310.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 71689644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).