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

C21H23N3O4 — CID 19244466

IUPACN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C21H23N3O4/c1-13(2)15-5-7-16(8-6-15)27-12-19(25)22-21-20(23-28-24-21)18-10-9-17(26-4)11-14(18)3/h5-11,13H,12H2,1-4H3,(H,22,24,25)
InChIKeyGAYHAUPTVZJNRX-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.19
Rot. Bonds7

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

N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 19244466) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID19244466
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C21H23N3O4/c1-13(2)15-5-7-16(8-6-15)27-12-19(25)22-21-20(23-28-24-21)18-10-9-17(26-4)11-14(18)3/h5-11,13H,12H2,1-4H3,(H,22,24,25)
InChIKeyGAYHAUPTVZJNRX-UHFFFAOYSA-N
XLogP4.19
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide
CID 19244424
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19244469
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 19244508
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
CID 19244479
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 17013562
2-(4-tert-butylphenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 17013565
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 17012560
benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131
N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17336026
2-(3,5-dimethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7707185
4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 19244370
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 19244466) is N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is COc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is GAYHAUPTVZJNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(2)15-5-7-16(8-6-15)27-12-19(25)22-21-20(23-28-24-21)18-10-9-17(26-4)11-14(18)3/h5-11,13H,12H2,1-4H3,(H,22,24,25).
What are the key properties of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 381.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19244466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).