3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide

C16H11Cl2N3O2 — CID 743807

IUPAC3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H11Cl2N3O2/c1-9-14(16(22)20-13-7-6-10(17)8-19-13)15(21-23-9)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,19,20,22)
InChIKeyGKDJSYQRPWZACW-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.60
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 743807) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID743807
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H11Cl2N3O2/c1-9-14(16(22)20-13-7-6-10(17)8-19-13)15(21-23-9)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,19,20,22)
InChIKeyGKDJSYQRPWZACW-UHFFFAOYSA-N
XLogP4.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 743807) is 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GKDJSYQRPWZACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c1-9-14(16(22)20-13-7-6-10(17)8-19-13)15(21-23-9)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,19,20,22).
What are the key properties of 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 743807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).