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

C25H41N3O2 — CID 155538982

IUPAC2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol
SMILESCCCCCCCCCCCCCCN(CCO)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-28(20-21-29)22-24-26-25(27-30-24)23-17-14-13-15-18-23/h13-15,17-18,29H,2-12,16,19-22H2,1H3
InChIKeyWQXMHLBIZLAQCF-UHFFFAOYSA-N
MW415.62 g/mol
LogP6.23
Rot. Bonds18

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

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol (PubChem CID 155538982) has the molecular formula C25H41N3O2 and a molecular weight of 415.62 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol.

Molecular Properties

Compound Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol
PubChem CID155538982
Molecular FormulaC25H41N3O2
Molecular Weight415.62 g/mol
Exact Mass415.32
IUPAC Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol
SMILESCCCCCCCCCCCCCCN(CCO)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-28(20-21-29)22-24-26-25(27-30-24)23-17-14-13-15-18-23/h13-15,17-18,29H,2-12,16,19-22H2,1H3
InChIKeyWQXMHLBIZLAQCF-UHFFFAOYSA-N
XLogP6.23
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 56.23
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-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol?
The IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol (CID 155538982) is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol.
What is the SMILES notation for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol?
The canonical SMILES for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol is CCCCCCCCCCCCCCN(CCO)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol?
The InChIKey is WQXMHLBIZLAQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-28(20-21-29)22-24-26-25(27-30-24)23-17-14-13-15-18-23/h13-15,17-18,29H,2-12,16,19-22H2,1H3.
What are the key properties of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol?
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol has a molecular weight of 415.62 g/mol, XLogP of 6.23, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol is sourced from PubChem (CID 155538982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).