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

C19H16Cl2N2O2 — CID 1368467

IUPAC3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1
InChIInChI=1S/C19H16Cl2N2O2/c1-10-7-8-11(2)15(9-10)22-19(24)16-12(3)25-23-18(16)17-13(20)5-4-6-14(17)21/h4-9H,1-3H3,(H,22,24)
InChIKeyOCCYBPNBEVRAIL-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.83
Rot. Bonds3

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

3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1368467) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1368467
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1
InChIInChI=1S/C19H16Cl2N2O2/c1-10-7-8-11(2)15(9-10)22-19(24)16-12(3)25-23-18(16)17-13(20)5-4-6-14(17)21/h4-9H,1-3H3,(H,22,24)
InChIKeyOCCYBPNBEVRAIL-UHFFFAOYSA-N
XLogP5.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1368467) is 3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OCCYBPNBEVRAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-10-7-8-11(2)15(9-10)22-19(24)16-12(3)25-23-18(16)17-13(20)5-4-6-14(17)21/h4-9H,1-3H3,(H,22,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 5.83, 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-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1368467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).