2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C20H31N5O — CID 95730107

IUPAC2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CN3CCCC[C@@H]3CCN3CCCC3)o2)n1C
InChIInChI=1S/C20H31N5O/c1-16-8-9-18(23(16)2)20-22-21-19(26-20)15-25-13-4-3-7-17(25)10-14-24-11-5-6-12-24/h8-9,17H,3-7,10-15H2,1-2H3/t17-/m1/s1
InChIKeyUALRCBZYSNWNBD-QGZVFWFLSA-N
MW357.50 g/mol
LogP3.22
Rot. Bonds6

About 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95730107) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95730107
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CN3CCCC[C@@H]3CCN3CCCC3)o2)n1C
InChIInChI=1S/C20H31N5O/c1-16-8-9-18(23(16)2)20-22-21-19(26-20)15-25-13-4-3-7-17(25)10-14-24-11-5-6-12-24/h8-9,17H,3-7,10-15H2,1-2H3/t17-/m1/s1
InChIKeyUALRCBZYSNWNBD-QGZVFWFLSA-N
XLogP3.22
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R*,4R*)-1-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(hydroxymethyl)-3-piperidinol
CID 56901365
(4-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-1,4-oxazepan-6-yl)methanol
CID 70763047
N-[(5-methyl-2-furyl)methyl]-2-[2-oxo-6-(pyrrolidin-1-ylsulfonyl)-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 53114467
1-(1-Azepanyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-YL)-1H-pyrrol-1-YL]-1-ethanone
CID 53114472
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-1-(4-methylpiperidino)-1-ethanone
CID 53114475
N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114508
8-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-isobutyl-2,8-diazaspiro[4.5]decan-3-one
CID 72934289
2,6-Di(5-methyl-1,3,4-oxadiazol-2-yl)pyridine
CID 12459326
1-(2-chlorophenyl)-4-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-piperazinone
CID 70747339
[(6S)-7-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 164635171
2-(5-Pyrrol-1-yl-2-pyridinyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 175337581
2-(Chloromethyl)-5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole
CID 1505889

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 95730107) is 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(CN3CCCC[C@@H]3CCN3CCCC3)o2)n1C.
What is the InChIKey of 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is UALRCBZYSNWNBD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N5O/c1-16-8-9-18(23(16)2)20-22-21-19(26-20)15-25-13-4-3-7-17(25)10-14-24-11-5-6-12-24/h8-9,17H,3-7,10-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 357.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95730107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).