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

C21H23N3O3 — CID 134700481

IUPAC3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cccc(C2CCN(Cc3noc(-c4ccccc4)n3)C2)c1OC
InChIInChI=1S/C21H23N3O3/c1-25-18-10-6-9-17(20(18)26-2)16-11-12-24(13-16)14-19-22-21(27-23-19)15-7-4-3-5-8-15/h3-10,16H,11-14H2,1-2H3
InChIKeySPPAYUNZYKODNF-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.74
Rot. Bonds6

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

3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 134700481) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID134700481
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cccc(C2CCN(Cc3noc(-c4ccccc4)n3)C2)c1OC
InChIInChI=1S/C21H23N3O3/c1-25-18-10-6-9-17(20(18)26-2)16-11-12-24(13-16)14-19-22-21(27-23-19)15-7-4-3-5-8-15/h3-10,16H,11-14H2,1-2H3
InChIKeySPPAYUNZYKODNF-UHFFFAOYSA-N
XLogP3.74
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 135089018
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
2-[[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 124754070
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 56898354
(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 111334093
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 77083033
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982
2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 135106989
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 120774254

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole (CID 134700481) is 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole is COc1cccc(C2CCN(Cc3noc(-c4ccccc4)n3)C2)c1OC.
What is the InChIKey of 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is SPPAYUNZYKODNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-25-18-10-6-9-17(20(18)26-2)16-11-12-24(13-16)14-19-22-21(27-23-19)15-7-4-3-5-8-15/h3-10,16H,11-14H2,1-2H3.
What are the key properties of 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole?
3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 365.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 134700481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).