5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

C15H9Cl2N3O2 — CID 1093818

IUPAC5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C15H9Cl2N3O2/c16-9-3-4-11(12(17)6-9)14-7-13(20-22-14)15(21)19-10-2-1-5-18-8-10/h1-8H,(H,19,21)
InChIKeyVAICQDPUQLXITQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.30
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 1093818) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID1093818
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C15H9Cl2N3O2/c16-9-3-4-11(12(17)6-9)14-7-13(20-22-14)15(21)19-10-2-1-5-18-8-10/h1-8H,(H,19,21)
InChIKeyVAICQDPUQLXITQ-UHFFFAOYSA-N
XLogP4.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 1093818) is 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)on1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VAICQDPUQLXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-9-3-4-11(12(17)6-9)14-7-13(20-22-14)15(21)19-10-2-1-5-18-8-10/h1-8H,(H,19,21).
What are the key properties of 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).