[1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol

C24H31ClN4O2 — CID 58854668

IUPAC[1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2nnc(-c3cn(CC4CCCCC4)c4c(Cl)cccc34)o2)CC1
InChIInChI=1S/C24H31ClN4O2/c25-21-8-4-7-19-20(14-29(23(19)21)13-17-5-2-1-3-6-17)24-27-26-22(31-24)15-28-11-9-18(16-30)10-12-28/h4,7-8,14,17-18,30H,1-3,5-6,9-13,15-16H2
InChIKeySOUMHGZEESDNLK-UHFFFAOYSA-N
MW442.99 g/mol
LogP5.13
Rot. Bonds6

About [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol

[1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol (PubChem CID 58854668) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol
PubChem CID58854668
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name[1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2nnc(-c3cn(CC4CCCCC4)c4c(Cl)cccc34)o2)CC1
InChIInChI=1S/C24H31ClN4O2/c25-21-8-4-7-19-20(14-29(23(19)21)13-17-5-2-1-3-6-17)24-27-26-22(31-24)15-28-11-9-18(16-30)10-12-28/h4,7-8,14,17-18,30H,1-3,5-6,9-13,15-16H2
InChIKeySOUMHGZEESDNLK-UHFFFAOYSA-N
XLogP5.13
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.99
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-1-(cyclohexylmethyl)indole-3-carboxylic acid
CID 68674009
methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate
CID 46257811
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
1-morpholin-4-yl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]ethanone
CID 46385196
2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 86873821
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
N-ethyl-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385202
[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69490579
1-[[3-[7-chloro-1-[(1,1-dioxothian-4-yl)methyl]indol-3-yl]-1,2,4-thiadiazol-5-yl]methyl]piperidin-4-ol
CID 68676529
[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 55409921
2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 55470479
3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 68536644

Frequently Asked Questions

What is the IUPAC name of [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol (CID 58854668) is [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2nnc(-c3cn(CC4CCCCC4)c4c(Cl)cccc34)o2)CC1.
What is the InChIKey of [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is SOUMHGZEESDNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c25-21-8-4-7-19-20(14-29(23(19)21)13-17-5-2-1-3-6-17)24-27-26-22(31-24)15-28-11-9-18(16-30)10-12-28/h4,7-8,14,17-18,30H,1-3,5-6,9-13,15-16H2.
What are the key properties of [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol?
[1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 442.99 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 58854668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).