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

C15H11Cl2N3O2S — CID 1164259

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1csc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1
InChIInChI=1S/C15H11Cl2N3O2S/c1-7-6-23-15(18-7)19-14(21)11-8(2)22-20-13(11)12-9(16)4-3-5-10(12)17/h3-6H,1-2H3,(H,18,19,21)
InChIKeyCQZQHHDZKXZQCT-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.97
Rot. Bonds3

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

3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 1164259) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID1164259
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1csc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1
InChIInChI=1S/C15H11Cl2N3O2S/c1-7-6-23-15(18-7)19-14(21)11-8(2)22-20-13(11)12-9(16)4-3-5-10(12)17/h3-6H,1-2H3,(H,18,19,21)
InChIKeyCQZQHHDZKXZQCT-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.97
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-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 1164259) is 3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1csc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is CQZQHHDZKXZQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c1-7-6-23-15(18-7)19-14(21)11-8(2)22-20-13(11)12-9(16)4-3-5-10(12)17/h3-6H,1-2H3,(H,18,19,21).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 368.25 g/mol, XLogP of 4.97, 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-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1164259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).