3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C17H10Cl2F2N2O2 — CID 1369580

IUPAC3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H10Cl2F2N2O2/c1-8-14(17(24)22-13-6-5-9(20)7-12(13)21)16(23-25-8)15-10(18)3-2-4-11(15)19/h2-7H,1H3,(H,22,24)
InChIKeyVADXYGMQSTXDEI-UHFFFAOYSA-N
MW383.18 g/mol
LogP5.49
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1369580) has the molecular formula C17H10Cl2F2N2O2 and a molecular weight of 383.18 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1369580
Molecular FormulaC17H10Cl2F2N2O2
Molecular Weight383.18 g/mol
Exact Mass382.01
IUPAC Name3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H10Cl2F2N2O2/c1-8-14(17(24)22-13-6-5-9(20)7-12(13)21)16(23-25-8)15-10(18)3-2-4-11(15)19/h2-7H,1H3,(H,22,24)
InChIKeyVADXYGMQSTXDEI-UHFFFAOYSA-N
XLogP5.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.18
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
3-(2,6-dichlorophenyl)-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-4-carboxamide
CID 5070431
3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805617
3-(2-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1259716
3-(2-chloro-6-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5223953
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 26903019
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide
CID 38277078
3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1222128
3-(2,6-dichlorophenyl)-N-(2-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1365098

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1369580) is 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VADXYGMQSTXDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N2O2/c1-8-14(17(24)22-13-6-5-9(20)7-12(13)21)16(23-25-8)15-10(18)3-2-4-11(15)19/h2-7H,1H3,(H,22,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 383.18 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1369580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).