3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H13Cl2FN2O3 — CID 1129478

IUPAC3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C18H13Cl2FN2O3/c1-9-15(17(23-26-9)16-11(20)4-3-5-12(16)21)18(24)22-13-8-10(19)6-7-14(13)25-2/h3-8H,1-2H3,(H,22,24)
InChIKeyBORKSMPJVNGWPS-UHFFFAOYSA-N
MW395.22 g/mol
LogP5.36
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1129478) has the molecular formula C18H13Cl2FN2O3 and a molecular weight of 395.22 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1129478
Molecular FormulaC18H13Cl2FN2O3
Molecular Weight395.22 g/mol
Exact Mass394.03
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C18H13Cl2FN2O3/c1-9-15(17(23-26-9)16-11(20)4-3-5-12(16)21)18(24)22-13-8-10(19)6-7-14(13)25-2/h3-8H,1-2H3,(H,22,24)
InChIKeyBORKSMPJVNGWPS-UHFFFAOYSA-N
XLogP5.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.22
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369060
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1015763
N-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093727
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129479
3-(2-chloro-6-fluorophenyl)-N-(2-fluoro-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1868174
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1129478) is 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BORKSMPJVNGWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O3/c1-9-15(17(23-26-9)16-11(20)4-3-5-12(16)21)18(24)22-13-8-10(19)6-7-14(13)25-2/h3-8H,1-2H3,(H,22,24).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 395.22 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1129478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).