2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide

C22H25N3O4 — CID 17013565

IUPAC2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C22H25N3O4/c1-14-12-15(6-11-18(14)27-5)20-21(25-29-24-20)23-19(26)13-28-17-9-7-16(8-10-17)22(2,3)4/h6-12H,13H2,1-5H3,(H,23,25,26)
InChIKeyVUYZFJOQAPYQBU-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.37
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide

2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 17013565) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID17013565
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C22H25N3O4/c1-14-12-15(6-11-18(14)27-5)20-21(25-29-24-20)23-19(26)13-28-17-9-7-16(8-10-17)22(2,3)4/h6-12H,13H2,1-5H3,(H,23,25,26)
InChIKeyVUYZFJOQAPYQBU-UHFFFAOYSA-N
XLogP4.37
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 17013562
benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17014045
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 17014055
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
CID 17014046
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 19244508
(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 35126571
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17014054
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19244466
2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 19244640
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide
CID 19244424
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 19244638

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide (CID 17013565) is 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide is COc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is VUYZFJOQAPYQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-12-15(6-11-18(14)27-5)20-21(25-29-24-20)23-19(26)13-28-17-9-7-16(8-10-17)22(2,3)4/h6-12H,13H2,1-5H3,(H,23,25,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide?
2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 17013565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).