1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol

C11H18N2O3 — CID 106815685

IUPAC1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCOCCc1noc(CC(O)C2CC2)n1
InChIInChI=1S/C11H18N2O3/c1-2-15-6-5-10-12-11(16-13-10)7-9(14)8-3-4-8/h8-9,14H,2-7H2,1H3
InChIKeyJMFUDBVMDHBFGT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.96
Rot. Bonds7

About 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol

1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 106815685) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID106815685
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCOCCc1noc(CC(O)C2CC2)n1
InChIInChI=1S/C11H18N2O3/c1-2-15-6-5-10-12-11(16-13-10)7-9(14)8-3-4-8/h8-9,14H,2-7H2,1H3
InChIKeyJMFUDBVMDHBFGT-UHFFFAOYSA-N
XLogP0.96
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol 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-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 103150962
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 106815738
1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115347281
cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 106814551
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116732991
1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 113390662
[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol
CID 63345351
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 55200861

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 106815685) is 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol is CCOCCc1noc(CC(O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is JMFUDBVMDHBFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-15-6-5-10-12-11(16-13-10)7-9(14)8-3-4-8/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 226.28 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 106815685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).