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

C20H21N3O4 — CID 50745967

IUPACN-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccccc1-c1nc(C(C)C)no1
InChIInChI=1S/C20H21N3O4/c1-13(2)19-22-20(27-23-19)14-8-4-6-10-16(14)26-12-18(24)21-15-9-5-7-11-17(15)25-3/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyDQBXIORBSBCLEQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.89
Rot. Bonds7

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

N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 50745967) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID50745967
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccccc1-c1nc(C(C)C)no1
InChIInChI=1S/C20H21N3O4/c1-13(2)19-22-20(27-23-19)14-8-4-6-10-16(14)26-12-18(24)21-15-9-5-7-11-17(15)25-3/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyDQBXIORBSBCLEQ-UHFFFAOYSA-N
XLogP3.89
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745915
N-(2,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745776
N-(3,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745916
4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide
CID 50745875
ethyl 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzoate
CID 50745863
N-cyclohexyl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745834
N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745941
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
N-(2-methylphenyl)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266701
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 50745860
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568465

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 50745967) is N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccccc1-c1nc(C(C)C)no1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is DQBXIORBSBCLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(2)19-22-20(27-23-19)14-8-4-6-10-16(14)26-12-18(24)21-15-9-5-7-11-17(15)25-3/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 50745967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).