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

C17H16N4O3 — CID 91905843

IUPACfuran-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(Cc2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H16N4O3/c22-17(14-4-8-23-11-14)21-7-3-12(10-21)9-15-19-16(24-20-15)13-1-5-18-6-2-13/h1-2,4-6,8,11-12H,3,7,9-10H2
InChIKeyGTXVOPWSDISXLQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.43
Rot. Bonds4

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

furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 91905843) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID91905843
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Namefuran-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(Cc2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H16N4O3/c22-17(14-4-8-23-11-14)21-7-3-12(10-21)9-15-19-16(24-20-15)13-1-5-18-6-2-13/h1-2,4-6,8,11-12H,3,7,9-10H2
InChIKeyGTXVOPWSDISXLQ-UHFFFAOYSA-N
XLogP2.43
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 91905843) is furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(Cc2noc(-c3ccncc3)n2)C1.
What is the InChIKey of furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is GTXVOPWSDISXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(14-4-8-23-11-14)21-7-3-12(10-21)9-15-19-16(24-20-15)13-1-5-18-6-2-13/h1-2,4-6,8,11-12H,3,7,9-10H2.
What are the key properties of furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 324.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91905843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).