2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide

C25H23N3O4 — CID 45032538

IUPAC2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2cccc(-c3noc(COc4cccc(C)c4)n3)c2)c1
InChIInChI=1S/C25H23N3O4/c1-17-6-3-9-20(12-17)26-23(29)15-30-22-11-5-8-19(14-22)25-27-24(32-28-25)16-31-21-10-4-7-18(2)13-21/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyPUSZGEHCTQIXEP-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.95
Rot. Bonds8

About 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide

2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 45032538) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID45032538
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2cccc(-c3noc(COc4cccc(C)c4)n3)c2)c1
InChIInChI=1S/C25H23N3O4/c1-17-6-3-9-20(12-17)26-23(29)15-30-22-11-5-8-19(14-22)25-27-24(32-28-25)16-31-21-10-4-7-18(2)13-21/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyPUSZGEHCTQIXEP-UHFFFAOYSA-N
XLogP4.95
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
1-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778432
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(4-methoxyphenyl)-2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50753500
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
5-[(3-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 845224
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 20932299

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide (CID 45032538) is 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2cccc(-c3noc(COc4cccc(C)c4)n3)c2)c1.
What is the InChIKey of 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is PUSZGEHCTQIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-6-3-9-20(12-17)26-23(29)15-30-22-11-5-8-19(14-22)25-27-24(32-28-25)16-31-21-10-4-7-18(2)13-21/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 45032538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).