5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one

C14H14N4O4 — CID 90508872

IUPAC5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CC(c3nc(-c4ccco4)no3)C2)N1
InChIInChI=1S/C14H14N4O4/c19-11-4-3-9(15-11)14(20)18-6-8(7-18)13-16-12(17-22-13)10-2-1-5-21-10/h1-2,5,8-9H,3-4,6-7H2,(H,15,19)
InChIKeyMLFAGNSZANGBOG-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.53
Rot. Bonds3

About 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one

5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90508872) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID90508872
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CC(c3nc(-c4ccco4)no3)C2)N1
InChIInChI=1S/C14H14N4O4/c19-11-4-3-9(15-11)14(20)18-6-8(7-18)13-16-12(17-22-13)10-2-1-5-21-10/h1-2,5,8-9H,3-4,6-7H2,(H,15,19)
InChIKeyMLFAGNSZANGBOG-UHFFFAOYSA-N
XLogP0.53
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 90509042
N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 90509208
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 90508937
6-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]diazinan-3-one
CID 75281240
6-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]diazinan-3-one
CID 75271214
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methylphenyl)methanone
CID 90508931
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90509069
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 90508966
(3,5-dimethylphenyl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90508932
4-chloro-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 90508926
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-thiophen-3-ylmethanone
CID 71784488
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-4-phenylbutane-1,4-dione
CID 90508873

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one (CID 90508872) is 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CC(c3nc(-c4ccco4)no3)C2)N1.
What is the InChIKey of 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MLFAGNSZANGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c19-11-4-3-9(15-11)14(20)18-6-8(7-18)13-16-12(17-22-13)10-2-1-5-21-10/h1-2,5,8-9H,3-4,6-7H2,(H,15,19).
What are the key properties of 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one?
5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 302.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90508872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).