N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C21H23N3O3 — CID 20943758

IUPACN-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCC(C)CCNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H23N3O3/c1-15(2)12-13-22-19(25)14-26-18-11-7-6-10-17(18)21-24-23-20(27-21)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyJNONFNKFPSICCW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.94
Rot. Bonds8

About N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 20943758) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID20943758
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCC(C)CCNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H23N3O3/c1-15(2)12-13-22-19(25)14-26-18-11-7-6-10-17(18)21-24-23-20(27-21)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyJNONFNKFPSICCW-UHFFFAOYSA-N
XLogP3.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 20943758) is N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide is CC(C)CCNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is JNONFNKFPSICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(2)12-13-22-19(25)14-26-18-11-7-6-10-17(18)21-24-23-20(27-21)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 20943758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).