2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol

C18H25N3O2 — CID 110908622

IUPAC2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol
SMILESOCCN(Cc1nc(Cc2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-12-11-21(16-9-5-2-6-10-16)14-18-19-17(20-23-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,16,22H,2,5-6,9-14H2
InChIKeyQAKFTNURXGLPBJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.79
Rot. Bonds7

About 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol (PubChem CID 110908622) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol
PubChem CID110908622
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol
SMILESOCCN(Cc1nc(Cc2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-12-11-21(16-9-5-2-6-10-16)14-18-19-17(20-23-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,16,22H,2,5-6,9-14H2
InChIKeyQAKFTNURXGLPBJ-UHFFFAOYSA-N
XLogP2.79
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl-[(3S)-thian-3-yl]amino]ethanol
CID 124738075
2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 62014677
2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
2-[cyclohexyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016216
3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 102848575
2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62015042
2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 102676753
1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 111106988
2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016020
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62977426
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol (CID 110908622) is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol is OCCN(Cc1nc(Cc2ccccc2)no1)C1CCCCC1.
What is the InChIKey of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol?
The InChIKey is QAKFTNURXGLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-12-11-21(16-9-5-2-6-10-16)14-18-19-17(20-23-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,16,22H,2,5-6,9-14H2.
What are the key properties of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol?
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol has a molecular weight of 315.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 110908622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).