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

C14H14N6O3 — CID 91892135

IUPACfuran-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
SMILESCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1
InChIInChI=1S/C14H14N6O3/c1-9-15-13(23-17-9)12-7-20(18-16-12)11-2-4-19(6-11)14(21)10-3-5-22-8-10/h3,5,7-8,11H,2,4,6H2,1H3
InChIKeyPMVXYXJIQQMRMB-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.32
Rot. Bonds3

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

furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 91892135) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
PubChem CID91892135
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Namefuran-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
SMILESCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1
InChIInChI=1S/C14H14N6O3/c1-9-15-13(23-17-9)12-7-20(18-16-12)11-2-4-19(6-11)14(21)10-3-5-22-8-10/h3,5,7-8,11H,2,4,6H2,1H3
InChIKeyPMVXYXJIQQMRMB-UHFFFAOYSA-N
XLogP1.32
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(Furan-3-yl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780464
1-(Furan-3-carbonyl)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91908527
(furan-3-yl){4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}methanone
CID 91891763
1-(Furan-3-carbonyl)-4-{4-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-1H-1,2,3-triazol-1-YL}piperidine
CID 91891862
1-(Furan-3-carbonyl)-4-[4-(3-propyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91891909
1-(Furan-3-carbonyl)-4-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91892014
5-{1-[1-(Furan-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazol-4-YL}-3-phenyl-1,2,4-oxadiazole
CID 91892173
3-Ethyl-5-{1-[1-(furan-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazol-4-YL}-1,2,4-oxadiazole
CID 91892219
5-{1-[1-(Furan-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazol-4-YL}-3-(propan-2-YL)-1,2,4-oxadiazole
CID 91892256
3-Cyclopropyl-5-{1-[1-(furan-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazol-4-YL}-1,2,4-oxadiazole
CID 91892297
4-[4-(3-Ethyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]-1-(furan-3-carbonyl)piperidine
CID 91908476
3-[4-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]-1-(furan-3-carbonyl)piperidine
CID 91908602

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone (CID 91892135) is furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone is Cc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1.
What is the InChIKey of furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is PMVXYXJIQQMRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-9-15-13(23-17-9)12-7-20(18-16-12)11-2-4-19(6-11)14(21)10-3-5-22-8-10/h3,5,7-8,11H,2,4,6H2,1H3.
What are the key properties of furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 314.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91892135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).