2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol

C15H18ClN3O2 — CID 102677203

IUPAC2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1noc(-c2ccc(Cl)cc2)n1)C1CCC1
InChIInChI=1S/C15H18ClN3O2/c16-12-6-4-11(5-7-12)15-17-14(18-21-15)10-19(8-9-20)13-2-1-3-13/h4-7,13,20H,1-3,8-10H2
InChIKeyQYEWHDAFUYAFGH-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.74
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol

2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol (PubChem CID 102677203) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol
PubChem CID102677203
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1noc(-c2ccc(Cl)cc2)n1)C1CCC1
InChIInChI=1S/C15H18ClN3O2/c16-12-6-4-11(5-7-12)15-17-14(18-21-15)10-19(8-9-20)13-2-1-3-13/h4-7,13,20H,1-3,8-10H2
InChIKeyQYEWHDAFUYAFGH-UHFFFAOYSA-N
XLogP2.74
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol (CID 102677203) is 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol is OCCN(Cc1noc(-c2ccc(Cl)cc2)n1)C1CCC1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol?
The InChIKey is QYEWHDAFUYAFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-6-4-11(5-7-12)15-17-14(18-21-15)10-19(8-9-20)13-2-1-3-13/h4-7,13,20H,1-3,8-10H2.
What are the key properties of 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol?
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol has a molecular weight of 307.78 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102677203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).