4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C20H18F2N2O3 — CID 19483823

IUPAC4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc(C)c2COc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C20H18F2N2O3/c1-11-4-6-17(12(2)8-11)23-20(25)19-15(13(3)27-24-19)10-26-18-7-5-14(21)9-16(18)22/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyZMFZTGHDIVINLW-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.71
Rot. Bonds5

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

4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19483823) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19483823
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc(C)c2COc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C20H18F2N2O3/c1-11-4-6-17(12(2)8-11)23-20(25)19-15(13(3)27-24-19)10-26-18-7-5-14(21)9-16(18)22/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyZMFZTGHDIVINLW-UHFFFAOYSA-N
XLogP4.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484171
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939
4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484036
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868
4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623167
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19483909
N-(2-fluoro-5-methylphenyl)-4-[(2-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442833
N-[4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483990
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
CID 19484018

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19483823) is 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2noc(C)c2COc2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZMFZTGHDIVINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-11-4-6-17(12(2)8-11)23-20(25)19-15(13(3)27-24-19)10-26-18-7-5-14(21)9-16(18)22/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19483823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).