2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

C22H26N4O2 — CID 128941234

IUPAC2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN2CCCC2C2CCCC2)o1
InChIInChI=1S/C22H26N4O2/c1-15-20(21(25-28-15)17-10-3-2-4-11-17)22-24-23-19(27-22)14-26-13-7-12-18(26)16-8-5-6-9-16/h2-4,10-11,16,18H,5-9,12-14H2,1H3
InChIKeyDISUYHJLBIRQJO-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.85
Rot. Bonds5

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

2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole (PubChem CID 128941234) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
PubChem CID128941234
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN2CCCC2C2CCCC2)o1
InChIInChI=1S/C22H26N4O2/c1-15-20(21(25-28-15)17-10-3-2-4-11-17)22-24-23-19(27-22)14-26-13-7-12-18(26)16-8-5-6-9-16/h2-4,10-11,16,18H,5-9,12-14H2,1H3
InChIKeyDISUYHJLBIRQJO-UHFFFAOYSA-N
XLogP4.85
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-ethylpiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 51223519
2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 11931900
(2R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-2-carboxamide
CID 9292585
2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 40855326
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 86973078
1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol
CID 26519005
2-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 41187702
2-[[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 11931897
4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 17449742
(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111334084
2-[(4-ethoxypiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 55988343
2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 86947225

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole (CID 128941234) is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole is Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCCC2C2CCCC2)o1.
What is the InChIKey of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is DISUYHJLBIRQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-20(21(25-28-15)17-10-3-2-4-11-17)22-24-23-19(27-22)14-26-13-7-12-18(26)16-8-5-6-9-16/h2-4,10-11,16,18H,5-9,12-14H2,1H3.
What are the key properties of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 378.48 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 128941234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).