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

C20H21N3O3 — CID 46266757

IUPACN-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-20(2,3)22-17(24)13-25-16-11-9-15(10-12-16)19-21-18(23-26-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyAJFIRKJBFOTWCX-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.70
Rot. Bonds5

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

N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 46266757) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID46266757
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-20(2,3)22-17(24)13-25-16-11-9-15(10-12-16)19-21-18(23-26-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyAJFIRKJBFOTWCX-UHFFFAOYSA-N
XLogP3.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50746907
2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-pyridin-3-ylacetamide
CID 46266764
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
N-(3-ethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237863
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238239
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897201

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 46266757) is N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is CC(C)(C)NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is AJFIRKJBFOTWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-20(2,3)22-17(24)13-25-16-11-9-15(10-12-16)19-21-18(23-26-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 46266757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).