5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole

C16H23N3O2 — CID 48936056

IUPAC5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)CC1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)10-12-6-4-8-19(12)11-14-17-15(18-21-14)13-7-5-9-20-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3
InChIKeyUEEZBEGNFXFPSM-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.73
Rot. Bonds4

About 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole

5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 48936056) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID48936056
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)CC1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)10-12-6-4-8-19(12)11-14-17-15(18-21-14)13-7-5-9-20-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3
InChIKeyUEEZBEGNFXFPSM-UHFFFAOYSA-N
XLogP3.73
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 48936056) is 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole is CC(C)(C)CC1CCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is UEEZBEGNFXFPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)10-12-6-4-8-19(12)11-14-17-15(18-21-14)13-7-5-9-20-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3.
What are the key properties of 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 48936056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).