N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide

C18H25N3O2 — CID 54770715

IUPACN,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H25N3O2/c1-3-5-12-21(13-6-4-2)17(22)14-16-19-18(20-23-16)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3
InChIKeySTFZGJVCQCTCQJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.71
Rot. Bonds9

About N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide

N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 54770715) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID54770715
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H25N3O2/c1-3-5-12-21(13-6-4-2)17(22)14-16-19-18(20-23-16)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3
InChIKeySTFZGJVCQCTCQJ-UHFFFAOYSA-N
XLogP3.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide (CID 54770715) is N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide is CCCCN(CCCC)C(=O)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is STFZGJVCQCTCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-5-12-21(13-6-4-2)17(22)14-16-19-18(20-23-16)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide?
N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 54770715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).