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

C19H16Cl2N2O4 — CID 1369060

IUPAC3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)c1
InChIInChI=1S/C19H16Cl2N2O4/c1-10-16(18(23-27-10)17-12(20)5-4-6-13(17)21)19(24)22-14-8-7-11(25-2)9-15(14)26-3/h4-9H,1-3H3,(H,22,24)
InChIKeyMAXKHVJHGOPIOQ-UHFFFAOYSA-N
MW407.25 g/mol
LogP5.23
Rot. Bonds5

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

3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1369060) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1369060
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)c1
InChIInChI=1S/C19H16Cl2N2O4/c1-10-16(18(23-27-10)17-12(20)5-4-6-13(17)21)19(24)22-14-8-7-11(25-2)9-15(14)26-3/h4-9H,1-3H3,(H,22,24)
InChIKeyMAXKHVJHGOPIOQ-UHFFFAOYSA-N
XLogP5.23
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.25
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
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
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
2-(5-Dodecyl-isoxazol-3-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 9984681
2-(3-Dodecyl-isoxazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10075862
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 1050479
3-(2-chlorophenyl)-N-((2-methoxyphenyl)carbamothioyl)-5-methylisoxazole-4-carboxamide
CID 1192732
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 1246987
3-(2-chlorophenyl)-5-methyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 6483814
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 44394913

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1369060) is 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MAXKHVJHGOPIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-10-16(18(23-27-10)17-12(20)5-4-6-13(17)21)19(24)22-14-8-7-11(25-2)9-15(14)26-3/h4-9H,1-3H3,(H,22,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 407.25 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1369060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).