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

C19H16ClFN2O4 — CID 1129476

IUPAC3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1
InChIInChI=1S/C19H16ClFN2O4/c1-10-16(18(23-27-10)17-12(20)5-4-6-13(17)21)19(24)22-14-9-11(25-2)7-8-15(14)26-3/h4-9H,1-3H3,(H,22,24)
InChIKeyJUKWEFUQZISAKK-UHFFFAOYSA-N
MW390.80 g/mol
LogP4.71
Rot. Bonds5

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

3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1129476) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1129476
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1
InChIInChI=1S/C19H16ClFN2O4/c1-10-16(18(23-27-10)17-12(20)5-4-6-13(17)21)19(24)22-14-9-11(25-2)7-8-15(14)26-3/h4-9H,1-3H3,(H,22,24)
InChIKeyJUKWEFUQZISAKK-UHFFFAOYSA-N
XLogP4.71
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1129476) is 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JUKWEFUQZISAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-10-16(18(23-27-10)17-12(20)5-4-6-13(17)21)19(24)22-14-9-11(25-2)7-8-15(14)26-3/h4-9H,1-3H3,(H,22,24).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 390.80 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1129476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).