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

C22H23N3O4 — CID 19484141

IUPACN-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2noc(C)c2COc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H23N3O4/c1-13-5-10-20(14(2)11-13)28-12-19-15(3)29-25-21(19)22(27)24-18-8-6-17(7-9-18)23-16(4)26/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyKMEQOTQQQSSWIY-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.39
Rot. Bonds6

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

N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19484141) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19484141
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2noc(C)c2COc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H23N3O4/c1-13-5-10-20(14(2)11-13)28-12-19-15(3)29-25-21(19)22(27)24-18-8-6-17(7-9-18)23-16(4)26/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyKMEQOTQQQSSWIY-UHFFFAOYSA-N
XLogP4.39
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484248
N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484171
N-(5-chloro-2-pyridinyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484152
4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19484285
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484129
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483823
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246
4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19484187
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484261
N-(1-benzyl-5-methylpyrazol-3-yl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19485953

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19484141) is N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2noc(C)c2COc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KMEQOTQQQSSWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-5-10-20(14(2)11-13)28-12-19-15(3)29-25-21(19)22(27)24-18-8-6-17(7-9-18)23-16(4)26/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19484141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).