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

C17H14Cl2N4O2 — CID 661208

IUPAC3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1
InChIInChI=1S/C17H14Cl2N4O2/c1-8-7-9(2)21-17(20-8)22-16(24)13-10(3)25-23-15(13)14-11(18)5-4-6-12(14)19/h4-7H,1-3H3,(H,20,21,22,24)
InChIKeyZAIOFIOKMWQCCU-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.62
Rot. Bonds3

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

3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 661208) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID661208
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1
InChIInChI=1S/C17H14Cl2N4O2/c1-8-7-9(2)21-17(20-8)22-16(24)13-10(3)25-23-15(13)14-11(18)5-4-6-12(14)19/h4-7H,1-3H3,(H,20,21,22,24)
InChIKeyZAIOFIOKMWQCCU-UHFFFAOYSA-N
XLogP4.62
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 661208) is 3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(C)nc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZAIOFIOKMWQCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-8-7-9(2)21-17(20-8)22-16(24)13-10(3)25-23-15(13)14-11(18)5-4-6-12(14)19/h4-7H,1-3H3,(H,20,21,22,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.62, 3 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-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 661208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).