2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol

C12H21N3O2 — CID 50965792

IUPAC2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C12H21N3O2/c1-9(8-16)13-7-11-14-12(15-17-11)10-5-3-2-4-6-10/h9-10,13,16H,2-8H2,1H3
InChIKeyLLWODLOQLZPKSO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.59
Rot. Bonds5

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

2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol (PubChem CID 50965792) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
PubChem CID50965792
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C12H21N3O2/c1-9(8-16)13-7-11-14-12(15-17-11)10-5-3-2-4-6-10/h9-10,13,16H,2-8H2,1H3
InChIKeyLLWODLOQLZPKSO-UHFFFAOYSA-N
XLogP1.59
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol (CID 50965792) is 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol is CC(CO)NCc1nc(C2CCCCC2)no1.
What is the InChIKey of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol?
The InChIKey is LLWODLOQLZPKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(8-16)13-7-11-14-12(15-17-11)10-5-3-2-4-6-10/h9-10,13,16H,2-8H2,1H3.
What are the key properties of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol?
2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 50965792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).