2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol

C21H33N3O2 — CID 155510632

IUPAC2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCCCCCCCCCCN(CCO)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-12-15-24(16-17-25)18-20-22-21(23-26-20)19-13-10-9-11-14-19/h9-11,13-14,25H,2-8,12,15-18H2,1H3
InChIKeyFEZPNBHAFOJHOY-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.67
Rot. Bonds14

About 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol

2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (PubChem CID 155510632) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
PubChem CID155510632
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCCCCCCCCCCN(CCO)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-12-15-24(16-17-25)18-20-22-21(23-26-20)19-13-10-9-11-14-19/h9-11,13-14,25H,2-8,12,15-18H2,1H3
InChIKeyFEZPNBHAFOJHOY-UHFFFAOYSA-N
XLogP4.67
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (CID 155510632) is 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is CCCCCCCCCCN(CCO)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The InChIKey is FEZPNBHAFOJHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-2-3-4-5-6-7-8-12-15-24(16-17-25)18-20-22-21(23-26-20)19-13-10-9-11-14-19/h9-11,13-14,25H,2-8,12,15-18H2,1H3.
What are the key properties of 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol has a molecular weight of 359.51 g/mol, XLogP of 4.67, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 155510632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).