N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide

C16H21N3O3 — CID 138009417

IUPACN-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCCCNC(=O)Cc1noc(CCc2cccc(O)c2)n1
InChIInChI=1S/C16H21N3O3/c1-2-3-9-17-15(21)11-14-18-16(22-19-14)8-7-12-5-4-6-13(20)10-12/h4-6,10,20H,2-3,7-9,11H2,1H3,(H,17,21)
InChIKeyGTEXULNPJRFIJY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.02
Rot. Bonds8

About N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide

N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 138009417) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID138009417
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCCCNC(=O)Cc1noc(CCc2cccc(O)c2)n1
InChIInChI=1S/C16H21N3O3/c1-2-3-9-17-15(21)11-14-18-16(22-19-14)8-7-12-5-4-6-13(20)10-12/h4-6,10,20H,2-3,7-9,11H2,1H3,(H,17,21)
InChIKeyGTEXULNPJRFIJY-UHFFFAOYSA-N
XLogP2.02
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
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 N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 138009417) is N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide is CCCCNC(=O)Cc1noc(CCc2cccc(O)c2)n1.
What is the InChIKey of N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is GTEXULNPJRFIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-3-9-17-15(21)11-14-18-16(22-19-14)8-7-12-5-4-6-13(20)10-12/h4-6,10,20H,2-3,7-9,11H2,1H3,(H,17,21).
What are the key properties of N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-[2-(3-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 138009417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).