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

C20H21N3O2 — CID 75375417

IUPAC2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(c3cccc(Oc4ccccc4)c3)C2)o1
InChIInChI=1S/C20H21N3O2/c1-15-21-22-20(24-15)14-23-11-10-17(13-23)16-6-5-9-19(12-16)25-18-7-3-2-4-8-18/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyBJUOFCYDRSTVRE-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.16
Rot. Bonds5

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

2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 75375417) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID75375417
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(c3cccc(Oc4ccccc4)c3)C2)o1
InChIInChI=1S/C20H21N3O2/c1-15-21-22-20(24-15)14-23-11-10-17(13-23)16-6-5-9-19(12-16)25-18-7-3-2-4-8-18/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyBJUOFCYDRSTVRE-UHFFFAOYSA-N
XLogP4.16
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913162
2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86909036
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124730881
2-methyl-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 56792507
3-amino-4-[3-(3-phenoxyphenyl)pyrrolidin-1-yl]cyclobut-3-ene-1,2-dione
CID 167743489
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole-5-carboxylate;3-[[(2S)-oxetan-2-yl]methyl]-2-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 167652505
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 75375417) is 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCC(c3cccc(Oc4ccccc4)c3)C2)o1.
What is the InChIKey of 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is BJUOFCYDRSTVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-21-22-20(24-15)14-23-11-10-17(13-23)16-6-5-9-19(12-16)25-18-7-3-2-4-8-18/h2-9,12,17H,10-11,13-14H2,1H3.
What are the key properties of 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75375417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).