2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide

C11H9Cl2N3O2 — CID 114918320

IUPAC2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ncc2Cl)on1
InChIInChI=1S/C11H9Cl2N3O2/c1-6-2-7(18-16-6)4-15-11(17)8-3-10(13)14-5-9(8)12/h2-3,5H,4H2,1H3,(H,15,17)
InChIKeyVLOXYPWNJSYKHQ-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.61
Rot. Bonds3

About 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide

2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide (PubChem CID 114918320) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
PubChem CID114918320
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ncc2Cl)on1
InChIInChI=1S/C11H9Cl2N3O2/c1-6-2-7(18-16-6)4-15-11(17)8-3-10(13)14-5-9(8)12/h2-3,5H,4H2,1H3,(H,15,17)
InChIKeyVLOXYPWNJSYKHQ-UHFFFAOYSA-N
XLogP2.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide (CID 114918320) is 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide is Cc1cc(CNC(=O)c2cc(Cl)ncc2Cl)on1.
What is the InChIKey of 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The InChIKey is VLOXYPWNJSYKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-6-2-7(18-16-6)4-15-11(17)8-3-10(13)14-5-9(8)12/h2-3,5H,4H2,1H3,(H,15,17).
What are the key properties of 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).