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

C20H18N4O3 — CID 102559060

IUPACN-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C1CCC(c2ccc(NC(=O)C3=NOC(c4ccccc4)C3)cc2)=NN1
InChIInChI=1S/C20H18N4O3/c25-19-11-10-16(22-23-19)13-6-8-15(9-7-13)21-20(26)17-12-18(27-24-17)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,21,26)(H,23,25)
InChIKeyYNNRFNSWBZWRCR-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.76
Rot. Bonds4

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

N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 102559060) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID102559060
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C1CCC(c2ccc(NC(=O)C3=NOC(c4ccccc4)C3)cc2)=NN1
InChIInChI=1S/C20H18N4O3/c25-19-11-10-16(22-23-19)13-6-8-15(9-7-13)21-20(26)17-12-18(27-24-17)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,21,26)(H,23,25)
InChIKeyYNNRFNSWBZWRCR-UHFFFAOYSA-N
XLogP2.76
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 102559060) is N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C1CCC(c2ccc(NC(=O)C3=NOC(c4ccccc4)C3)cc2)=NN1.
What is the InChIKey of N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is YNNRFNSWBZWRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-19-11-10-16(22-23-19)13-6-8-15(9-7-13)21-20(26)17-12-18(27-24-17)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,21,26)(H,23,25).
What are the key properties of N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 102559060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).