3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C12H15N3O2 — CID 113453228

IUPAC3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1occc1-c1noc(C2(C)CCNC2)n1
InChIInChI=1S/C12H15N3O2/c1-8-9(3-6-16-8)10-14-11(17-15-10)12(2)4-5-13-7-12/h3,6,13H,4-5,7H2,1-2H3
InChIKeyMQUGRWSFPUKCJX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.89
Rot. Bonds2

About 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 113453228) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID113453228
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1occc1-c1noc(C2(C)CCNC2)n1
InChIInChI=1S/C12H15N3O2/c1-8-9(3-6-16-8)10-14-11(17-15-10)12(2)4-5-13-7-12/h3,6,13H,4-5,7H2,1-2H3
InChIKeyMQUGRWSFPUKCJX-UHFFFAOYSA-N
XLogP1.89
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 113453228) is 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is Cc1occc1-c1noc(C2(C)CCNC2)n1.
What is the InChIKey of 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is MQUGRWSFPUKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-9(3-6-16-8)10-14-11(17-15-10)12(2)4-5-13-7-12/h3,6,13H,4-5,7H2,1-2H3.
What are the key properties of 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 113453228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).