2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol

C18H23ClN4O2 — CID 146139737

IUPAC2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol
SMILESOCCN1CCCC2C1CCN2Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H23ClN4O2/c19-14-5-3-13(4-6-14)18-20-17(25-21-18)12-23-9-7-16-15(23)2-1-8-22(16)10-11-24/h3-6,15-16,24H,1-2,7-12H2
InChIKeyGQBZULGREHXGLL-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.42
Rot. Bonds5

About 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol

2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol (PubChem CID 146139737) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol
PubChem CID146139737
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol
SMILESOCCN1CCCC2C1CCN2Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H23ClN4O2/c19-14-5-3-13(4-6-14)18-20-17(25-21-18)12-23-9-7-16-15(23)2-1-8-22(16)10-11-24/h3-6,15-16,24H,1-2,7-12H2
InChIKeyGQBZULGREHXGLL-UHFFFAOYSA-N
XLogP2.42
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol with MolForge

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Related Compounds

[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
N-[[(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51937010
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]ethanamine
CID 120728336
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030665
3-(4-chlorophenyl)-5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 8856305
3-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 110918967
3-(4-chlorophenyl)-5-[[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 55830718
[(2S)-1-benzylpyrrolidin-2-yl]-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 95349433
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
3-(4-chlorophenyl)-5-[[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42101265
3-(4-chlorophenyl)-5-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 8539727
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 43933262

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol?
The IUPAC name of 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol (CID 146139737) is 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol?
The canonical SMILES for 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol is OCCN1CCCC2C1CCN2Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol?
The InChIKey is GQBZULGREHXGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c19-14-5-3-13(4-6-14)18-20-17(25-21-18)12-23-9-7-16-15(23)2-1-8-22(16)10-11-24/h3-6,15-16,24H,1-2,7-12H2.
What are the key properties of 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol?
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol has a molecular weight of 362.86 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]ethanol is sourced from PubChem (CID 146139737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).