[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol

C16H21N3O2 — CID 84596345

IUPAC[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C16H21N3O2/c20-11-12-5-4-8-14(9-12)17-10-15-18-16(21-19-15)13-6-2-1-3-7-13/h4-5,8-9,13,17,20H,1-3,6-7,10-11H2
InChIKeyOEYGJZIRSAQEEO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.22
Rot. Bonds5

About [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol

[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol (PubChem CID 84596345) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol
PubChem CID84596345
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C16H21N3O2/c20-11-12-5-4-8-14(9-12)17-10-15-18-16(21-19-15)13-6-2-1-3-7-13/h4-5,8-9,13,17,20H,1-3,6-7,10-11H2
InChIKeyOEYGJZIRSAQEEO-UHFFFAOYSA-N
XLogP3.22
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol with MolForge

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Related Compounds

2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 75436511
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
(3-cycloheptylphenyl)methanol
CID 84672634
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 50755143
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72914508
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
2-chloro-6-fluoro-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99838002
5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130161

Frequently Asked Questions

What is the IUPAC name of [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol (CID 84596345) is [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol is OCc1cccc(NCc2noc(C3CCCCC3)n2)c1.
What is the InChIKey of [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol?
The InChIKey is OEYGJZIRSAQEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-11-12-5-4-8-14(9-12)17-10-15-18-16(21-19-15)13-6-2-1-3-7-13/h4-5,8-9,13,17,20H,1-3,6-7,10-11H2.
What are the key properties of [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol?
[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 84596345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).