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

C16H14N4O3 — CID 71689643

IUPAC1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2nc(-c3ccccn3)no2)N1Cc1ccco1
InChIInChI=1S/C16H14N4O3/c21-14-7-6-13(20(14)10-11-4-3-9-22-11)16-18-15(19-23-16)12-5-1-2-8-17-12/h1-5,8-9,13H,6-7,10H2
InChIKeyMZFAGRADIJJVKV-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.59
Rot. Bonds4

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

1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 71689643) 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-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID71689643
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2nc(-c3ccccn3)no2)N1Cc1ccco1
InChIInChI=1S/C16H14N4O3/c21-14-7-6-13(20(14)10-11-4-3-9-22-11)16-18-15(19-23-16)12-5-1-2-8-17-12/h1-5,8-9,13H,6-7,10H2
InChIKeyMZFAGRADIJJVKV-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-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 71689644
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 51896263
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162861370
5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 95230095
1-[(4-fluorophenyl)methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506631
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
3-pyridin-2-yl-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole
CID 126809326
2-(N-methylanilino)-1-[(2R)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 97125511
5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one
CID 97201209
(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41014921

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 71689643) is 1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is O=C1CCC(c2nc(-c3ccccn3)no2)N1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is MZFAGRADIJJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-14-7-6-13(20(14)10-11-4-3-9-22-11)16-18-15(19-23-16)12-5-1-2-8-17-12/h1-5,8-9,13H,6-7,10H2.
What are the key properties of 1-(furan-2-ylmethyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
1-(furan-2-ylmethyl)-5-(3-pyridin-2-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-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 71689643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).