N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

C21H21N3O4 — CID 24818231

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C21H21N3O4/c1-14-19(20(23-28-14)15-8-5-4-6-9-15)21(26)24(2)13-18(25)22-16-10-7-11-17(12-16)27-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyYRHFGSZTMJSHQL-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 24818231) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID24818231
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C21H21N3O4/c1-14-19(20(23-28-14)15-8-5-4-6-9-15)21(26)24(2)13-18(25)22-16-10-7-11-17(12-16)27-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyYRHFGSZTMJSHQL-UHFFFAOYSA-N
XLogP3.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 25163787
1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738197
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 55792504
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
CID 24818015
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27787175
bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 174684949

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 24818231) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YRHFGSZTMJSHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-19(20(23-28-14)15-8-5-4-6-9-15)21(26)24(2)13-18(25)22-16-10-7-11-17(12-16)27-3/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24818231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).