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

C11H19N3O2 — CID 104934477

IUPAC[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol
SMILESCc1nonc1CNC1CCCCC1CO
InChIInChI=1S/C11H19N3O2/c1-8-11(14-16-13-8)6-12-10-5-3-2-4-9(10)7-15/h9-10,12,15H,2-7H2,1H3
InChIKeyNICYATOYAQXJGW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.02
Rot. Bonds4

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

[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol (PubChem CID 104934477) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol
PubChem CID104934477
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol
SMILESCc1nonc1CNC1CCCCC1CO
InChIInChI=1S/C11H19N3O2/c1-8-11(14-16-13-8)6-12-10-5-3-2-4-9(10)7-15/h9-10,12,15H,2-7H2,1H3
InChIKeyNICYATOYAQXJGW-UHFFFAOYSA-N
XLogP1.02
TPSA71.18 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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol (CID 104934477) is [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol is Cc1nonc1CNC1CCCCC1CO.
What is the InChIKey of [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol?
The InChIKey is NICYATOYAQXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-11(14-16-13-8)6-12-10-5-3-2-4-9(10)7-15/h9-10,12,15H,2-7H2,1H3.
What are the key properties of [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol?
[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 104934477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).