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

C14H9Cl2N3O2S — CID 1005091

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nccs1
InChIInChI=1S/C14H9Cl2N3O2S/c1-7-10(13(20)18-14-17-5-6-22-14)12(19-21-7)11-8(15)3-2-4-9(11)16/h2-6H,1H3,(H,17,18,20)
InChIKeyBOWULQLQQXEKJY-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.67
Rot. Bonds3

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

3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 1005091) has the molecular formula C14H9Cl2N3O2S and a molecular weight of 354.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID1005091
Molecular FormulaC14H9Cl2N3O2S
Molecular Weight354.22 g/mol
Exact Mass352.98
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nccs1
InChIInChI=1S/C14H9Cl2N3O2S/c1-7-10(13(20)18-14-17-5-6-22-14)12(19-21-7)11-8(15)3-2-4-9(11)16/h2-6H,1H3,(H,17,18,20)
InChIKeyBOWULQLQQXEKJY-UHFFFAOYSA-N
XLogP4.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.67
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)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 1005091) is 3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nccs1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is BOWULQLQQXEKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2S/c1-7-10(13(20)18-14-17-5-6-22-14)12(19-21-7)11-8(15)3-2-4-9(11)16/h2-6H,1H3,(H,17,18,20).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 354.22 g/mol, XLogP of 4.67, 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)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1005091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).