2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol

C17H23N3O2 — CID 109397716

IUPAC2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCc1ccc(-c2noc(CN(C)CC3CCCC3O)n2)cc1
InChIInChI=1S/C17H23N3O2/c1-12-6-8-13(9-7-12)17-18-16(22-19-17)11-20(2)10-14-4-3-5-15(14)21/h6-9,14-15,21H,3-5,10-11H2,1-2H3
InChIKeyKLRINADJHCCGMS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds5

About 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol

2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol (PubChem CID 109397716) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
PubChem CID109397716
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCc1ccc(-c2noc(CN(C)CC3CCCC3O)n2)cc1
InChIInChI=1S/C17H23N3O2/c1-12-6-8-13(9-7-12)17-18-16(22-19-17)11-20(2)10-14-4-3-5-15(14)21/h6-9,14-15,21H,3-5,10-11H2,1-2H3
InChIKeyKLRINADJHCCGMS-UHFFFAOYSA-N
XLogP2.64
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 2951433
2-[[methyl-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 109397740
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 86895167
5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 11859836
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835715
2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397976
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 53278268
N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 29208508
4-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 25219232
5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol (CID 109397716) is 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol is Cc1ccc(-c2noc(CN(C)CC3CCCC3O)n2)cc1.
What is the InChIKey of 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is KLRINADJHCCGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-6-8-13(9-7-12)17-18-16(22-19-17)11-20(2)10-14-4-3-5-15(14)21/h6-9,14-15,21H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol?
2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109397716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).