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

C19H21N3O4 — CID 135106989

IUPAC2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCOc1cccc(C2CCN(Cc3nnc(-c4ccco4)o3)C2)c1OC
InChIInChI=1S/C19H21N3O4/c1-23-15-6-3-5-14(18(15)24-2)13-8-9-22(11-13)12-17-20-21-19(26-17)16-7-4-10-25-16/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyGUKCHHFPQVMAIS-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.34
Rot. Bonds6

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

2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 135106989) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID135106989
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCOc1cccc(C2CCN(Cc3nnc(-c4ccco4)o3)C2)c1OC
InChIInChI=1S/C19H21N3O4/c1-23-15-6-3-5-14(18(15)24-2)13-8-9-22(11-13)12-17-20-21-19(26-17)16-7-4-10-25-16/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyGUKCHHFPQVMAIS-UHFFFAOYSA-N
XLogP3.34
TPSA73.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 134700481
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanol
CID 79833803
2-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 124753304
4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 56898354
2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 56817361
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazole
CID 95122209
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 77083033
2-[[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 124754070

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 135106989) is 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is COc1cccc(C2CCN(Cc3nnc(-c4ccco4)o3)C2)c1OC.
What is the InChIKey of 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is GUKCHHFPQVMAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-15-6-3-5-14(18(15)24-2)13-8-9-22(11-13)12-17-20-21-19(26-17)16-7-4-10-25-16/h3-7,10,13H,8-9,11-12H2,1-2H3.
What are the key properties of 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 355.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135106989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).