N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C20H16N4O3 — CID 49033506

IUPACN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C20H16N4O3/c25-19-10-9-16(22-23-19)14-7-4-8-15(11-14)21-20(26)17-12-18(27-24-17)13-5-2-1-3-6-13/h1-11,18H,12H2,(H,21,26)(H,23,25)
InChIKeyZIAXVBSYRJGDGZ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.89
Rot. Bonds4

About N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 49033506) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID49033506
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C20H16N4O3/c25-19-10-9-16(22-23-19)14-7-4-8-15(11-14)21-20(26)17-12-18(27-24-17)13-5-2-1-3-6-13/h1-11,18H,12H2,(H,21,26)(H,23,25)
InChIKeyZIAXVBSYRJGDGZ-UHFFFAOYSA-N
XLogP2.89
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 49033506) is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is ZIAXVBSYRJGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-19-10-9-16(22-23-19)14-7-4-8-15(11-14)21-20(26)17-12-18(27-24-17)13-5-2-1-3-6-13/h1-11,18H,12H2,(H,21,26)(H,23,25).
What are the key properties of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 49033506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).