2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

C17H23N3O2 — CID 96538811

IUPAC2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCC[C@@H]2COc2ccccc2)o1
InChIInChI=1S/C17H23N3O2/c1-13(2)17-19-18-16(22-17)11-20-10-6-7-14(20)12-21-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyJJQQMEHNEYXBFZ-CQSZACIVSA-N
MW301.39 g/mol
LogP3.24
Rot. Bonds6

About 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 96538811) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID96538811
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCC[C@@H]2COc2ccccc2)o1
InChIInChI=1S/C17H23N3O2/c1-13(2)17-19-18-16(22-17)11-20-10-6-7-14(20)12-21-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyJJQQMEHNEYXBFZ-CQSZACIVSA-N
XLogP3.24
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 91829934
2-propan-2-yl-5-[[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95769217
3-cyclopropyl-5-[[2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole
CID 86789243
8-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 136582369
2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96538841
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 91838515
5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 136582335
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
2-benzyl-5-[[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86879145
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
2-[[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 95751032
1-benzyl-2-(phenoxymethyl)azetidine;oxalic acid;hydrate
CID 67905585

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 96538811) is 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCC[C@@H]2COc2ccccc2)o1.
What is the InChIKey of 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is JJQQMEHNEYXBFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)17-19-18-16(22-17)11-20-10-6-7-14(20)12-21-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 96538811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).