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

C22H24N4O5 — CID 100611516

IUPAC2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(-c3nc(C(C)(C)NC(C)=O)no3)cc2)c1
InChIInChI=1S/C22H24N4O5/c1-14(27)25-22(2,3)21-24-20(31-26-21)15-8-10-17(11-9-15)30-13-19(28)23-16-6-5-7-18(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyNVXATVZNPAQRFP-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.13
Rot. Bonds8

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

2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 100611516) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide
PubChem CID100611516
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(-c3nc(C(C)(C)NC(C)=O)no3)cc2)c1
InChIInChI=1S/C22H24N4O5/c1-14(27)25-22(2,3)21-24-20(31-26-21)15-8-10-17(11-9-15)30-13-19(28)23-16-6-5-7-18(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyNVXATVZNPAQRFP-UHFFFAOYSA-N
XLogP3.13
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
N-(3-methoxyphenyl)-2-[4-[3-[(2-oxo-1-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 166201068
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237908
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-(3-chlorophenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237975
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide
CID 103756161
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide (CID 100611516) is 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(-c3nc(C(C)(C)NC(C)=O)no3)cc2)c1.
What is the InChIKey of 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The InChIKey is NVXATVZNPAQRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-14(27)25-22(2,3)21-24-20(31-26-21)15-8-10-17(11-9-15)30-13-19(28)23-16-6-5-7-18(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,28)(H,25,27).
What are the key properties of 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide?
2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 424.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 100611516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).