2-cycloheptyl-1,2,4-oxadiazolidin-5-ol

C9H18N2O2 — CID 139444164

IUPAC2-cycloheptyl-1,2,4-oxadiazolidin-5-ol
SMILESOC1NCN(C2CCCCCC2)O1
InChIInChI=1S/C9H18N2O2/c12-9-10-7-11(13-9)8-5-3-1-2-4-6-8/h8-10,12H,1-7H2
InChIKeyOJLVZGRRSQREFH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.78
Rot. Bonds1

About 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol

2-cycloheptyl-1,2,4-oxadiazolidin-5-ol (PubChem CID 139444164) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol.

Molecular Properties

Compound Name2-cycloheptyl-1,2,4-oxadiazolidin-5-ol
PubChem CID139444164
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-cycloheptyl-1,2,4-oxadiazolidin-5-ol
SMILESOC1NCN(C2CCCCCC2)O1
InChIInChI=1S/C9H18N2O2/c12-9-10-7-11(13-9)8-5-3-1-2-4-6-8/h8-10,12H,1-7H2
InChIKeyOJLVZGRRSQREFH-UHFFFAOYSA-N
XLogP0.78
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-1,3-diazetidine
CID 20659802
2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole
CID 145326253
1-cyclohexyl-3,3-dimethyldiaziridine
CID 71679608
2-oxa-1-azabicyclo[4.2.0]octane
CID 149252070
azacyclononadecan-2-ol
CID 22924253
1-cyclopentylazetidin-3-ol
CID 56828199
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cyclohexanol;cyclooctanol
CID 22461579
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
CID 126565755
1-cyclooctyl-1,2,4-triazolidine
CID 135257321
3-cyclononyl-2H-oxadiazol-5-ol
CID 155263249

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol?
The IUPAC name of 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol (CID 139444164) is 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol.
What is the SMILES notation for 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol?
The canonical SMILES for 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol is OC1NCN(C2CCCCCC2)O1.
What is the InChIKey of 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol?
The InChIKey is OJLVZGRRSQREFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-9-10-7-11(13-9)8-5-3-1-2-4-6-8/h8-10,12H,1-7H2.
What are the key properties of 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol?
2-cycloheptyl-1,2,4-oxadiazolidin-5-ol has a molecular weight of 186.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1,2,4-oxadiazolidin-5-ol is sourced from PubChem (CID 139444164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).