2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol

C11H19N3O2 — CID 104633268

IUPAC2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(CC2CCCCC2)n1
InChIInChI=1S/C11H19N3O2/c12-9(7-15)11-13-10(16-14-11)6-8-4-2-1-3-5-8/h8-9,15H,1-7,12H2
InChIKeyJEBPJDIRIQIYAW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.18
Rot. Bonds4

About 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol

2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633268) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633268
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(CC2CCCCC2)n1
InChIInChI=1S/C11H19N3O2/c12-9(7-15)11-13-10(16-14-11)6-8-4-2-1-3-5-8/h8-9,15H,1-7,12H2
InChIKeyJEBPJDIRIQIYAW-UHFFFAOYSA-N
XLogP1.18
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635196
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859
1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 83137324
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635646
5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633437
2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633479
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633268) is 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(CC2CCCCC2)n1.
What is the InChIKey of 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is JEBPJDIRIQIYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-9(7-15)11-13-10(16-14-11)6-8-4-2-1-3-5-8/h8-9,15H,1-7,12H2.
What are the key properties of 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).