5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide

C14H10N4O2 — CID 154876265

IUPAC5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H10N4O2/c19-14(17-11-6-7-15-16-9-11)12-8-13(20-18-12)10-4-2-1-3-5-10/h1-9H,(H,15,17,19)
InChIKeyAHIMKIXBYNXKDO-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.38
Rot. Bonds3

About 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide

5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 154876265) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID154876265
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H10N4O2/c19-14(17-11-6-7-15-16-9-11)12-8-13(20-18-12)10-4-2-1-3-5-10/h1-9H,(H,15,17,19)
InChIKeyAHIMKIXBYNXKDO-UHFFFAOYSA-N
XLogP2.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide (CID 154876265) is 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccnnc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is AHIMKIXBYNXKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(17-11-6-7-15-16-9-11)12-8-13(20-18-12)10-4-2-1-3-5-10/h1-9H,(H,15,17,19).
What are the key properties of 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide?
5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154876265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).