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

C21H20N2O4 — CID 19488246

IUPACN-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc(C)c2COc2cccc(C)c2)cc1
InChIInChI=1S/C21H20N2O4/c1-13-5-4-6-18(11-13)26-12-19-15(3)27-23-20(19)21(25)22-17-9-7-16(8-10-17)14(2)24/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyHGNWYFMJVHTDLV-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.33
Rot. Bonds6

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

N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19488246) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19488246
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc(C)c2COc2cccc(C)c2)cc1
InChIInChI=1S/C21H20N2O4/c1-13-5-4-6-18(11-13)26-12-19-15(3)27-23-20(19)21(25)22-17-9-7-16(8-10-17)14(2)24/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyHGNWYFMJVHTDLV-UHFFFAOYSA-N
XLogP4.33
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488250
N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445000
N-(3-fluoro-4-methylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488236
N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445305
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488191
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444262
4-[(4-ethylphenoxy)methyl]-5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19444565
N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492520
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484141
methyl 5-methyl-2-[[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19488295
4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19444450

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19488246) is N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2noc(C)c2COc2cccc(C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HGNWYFMJVHTDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-5-4-6-18(11-13)26-12-19-15(3)27-23-20(19)21(25)22-17-9-7-16(8-10-17)14(2)24/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).