N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C22H22N2O4 — CID 19445000

IUPACN-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H22N2O4/c1-13-5-10-19(11-14(13)2)27-12-20-16(4)28-24-21(20)22(26)23-18-8-6-17(7-9-18)15(3)25/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyIFISRPXVTUTSBN-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.63
Rot. Bonds6

About N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19445000) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19445000
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H22N2O4/c1-13-5-10-19(11-14(13)2)27-12-20-16(4)28-24-21(20)22(26)23-18-8-6-17(7-9-18)15(3)25/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyIFISRPXVTUTSBN-UHFFFAOYSA-N
XLogP4.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246
N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445305
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934
4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 71651871
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445012
N-(3-fluoro-4-methylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488236
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484141
N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488250

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19445000) is N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is IFISRPXVTUTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13-5-10-19(11-14(13)2)27-12-20-16(4)28-24-21(20)22(26)23-18-8-6-17(7-9-18)15(3)25/h5-11H,12H2,1-4H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).