N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide

C17H23N3O2 — CID 54770046

IUPACN,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-3-5-12-20(13-6-4-2)17(21)16-18-15(19-22-16)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyZWPXOOPRMJRRLA-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.78
Rot. Bonds8

About N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide

N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 54770046) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID54770046
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-3-5-12-20(13-6-4-2)17(21)16-18-15(19-22-16)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyZWPXOOPRMJRRLA-UHFFFAOYSA-N
XLogP3.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide (CID 54770046) is N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide is CCCCN(CCCC)C(=O)c1nc(-c2ccccc2)no1.
What is the InChIKey of N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZWPXOOPRMJRRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-5-12-20(13-6-4-2)17(21)16-18-15(19-22-16)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 54770046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).