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

C20H18F2N2O3 — CID 19484171

IUPACN-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3cc(F)ccc3F)noc2C)c(C)c1
InChIInChI=1S/C20H18F2N2O3/c1-11-4-7-18(12(2)8-11)26-10-15-13(3)27-24-19(15)20(25)23-17-9-14(21)5-6-16(17)22/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyKLPAIZJFYJELQM-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.71
Rot. Bonds5

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

N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19484171) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19484171
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC NameN-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3cc(F)ccc3F)noc2C)c(C)c1
InChIInChI=1S/C20H18F2N2O3/c1-11-4-7-18(12(2)8-11)26-10-15-13(3)27-24-19(15)20(25)23-17-9-14(21)5-6-16(17)22/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyKLPAIZJFYJELQM-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-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483823
4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
N-(2-fluoro-5-methylphenyl)-4-[(2-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442833
4-[(4-chlorophenoxy)methyl]-N-(2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443644
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484141
N-(5-chloro-2-pyridinyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484152
N-(2,5-difluorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 17026191
4-[(2,4-difluorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484036
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490554
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19484171) is N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2c(C(=O)Nc3cc(F)ccc3F)noc2C)c(C)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KLPAIZJFYJELQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-11-4-7-18(12(2)8-11)26-10-15-13(3)27-24-19(15)20(25)23-17-9-14(21)5-6-16(17)22/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-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 N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19484171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).