N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

C17H18N4O4 — CID 43061729

IUPACN-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C17H18N4O4/c22-17(18-10-12-4-2-8-23-12)13-5-1-7-21(13)11-15-19-16(20-25-15)14-6-3-9-24-14/h2-4,6,8-9,13H,1,5,7,10-11H2,(H,18,22)
InChIKeyAWSWKLJGFFQGFV-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.20
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 43061729) has the molecular formula C17H18N4O4 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID43061729
Molecular FormulaC17H18N4O4
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C17H18N4O4/c22-17(18-10-12-4-2-8-23-12)13-5-1-7-21(13)11-15-19-16(20-25-15)14-6-3-9-24-14/h2-4,6,8-9,13H,1,5,7,10-11H2,(H,18,22)
InChIKeyAWSWKLJGFFQGFV-UHFFFAOYSA-N
XLogP2.20
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 43061729) is N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is AWSWKLJGFFQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-17(18-10-12-4-2-8-23-12)13-5-1-7-21(13)11-15-19-16(20-25-15)14-6-3-9-24-14/h2-4,6,8-9,13H,1,5,7,10-11H2,(H,18,22).
What are the key properties of N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43061729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).