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

C18H12Cl2F2N2O3 — CID 19483868

IUPACN-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1COc1ccc(F)cc1F
InChIInChI=1S/C18H12Cl2F2N2O3/c1-9-12(8-26-16-5-2-10(21)6-15(16)22)17(24-27-9)18(25)23-11-3-4-13(19)14(20)7-11/h2-7H,8H2,1H3,(H,23,25)
InChIKeyJXFSCBUULLARIO-UHFFFAOYSA-N
MW413.21 g/mol
LogP5.40
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19483868) has the molecular formula C18H12Cl2F2N2O3 and a molecular weight of 413.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19483868
Molecular FormulaC18H12Cl2F2N2O3
Molecular Weight413.21 g/mol
Exact Mass412.02
IUPAC NameN-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1COc1ccc(F)cc1F
InChIInChI=1S/C18H12Cl2F2N2O3/c1-9-12(8-26-16-5-2-10(21)6-15(16)22)17(24-27-9)18(25)23-11-3-4-13(19)14(20)7-11/h2-7H,8H2,1H3,(H,23,25)
InChIKeyJXFSCBUULLARIO-UHFFFAOYSA-N
XLogP5.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.21
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492520
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
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
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483823
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483872
4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623167
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19483909
N-(1-benzylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483918
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484028
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19483962

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19483868) is N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1COc1ccc(F)cc1F.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JXFSCBUULLARIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F2N2O3/c1-9-12(8-26-16-5-2-10(21)6-15(16)22)17(24-27-9)18(25)23-11-3-4-13(19)14(20)7-11/h2-7H,8H2,1H3,(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 413.21 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19483868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).