N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C24H18N4O3 — CID 24599427

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C24H18N4O3/c29-22-15-14-20(27-28(22)18-6-2-1-3-7-18)23(30)25-17-12-10-16(11-13-17)24-26-19-8-4-5-9-21(19)31-24/h1-13H,14-15H2,(H,25,30)
InChIKeyHZWNJEKXIMQPIE-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.62
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24599427) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID24599427
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C24H18N4O3/c29-22-15-14-20(27-28(22)18-6-2-1-3-7-18)23(30)25-17-12-10-16(11-13-17)24-26-19-8-4-5-9-21(19)31-24/h1-13H,14-15H2,(H,25,30)
InChIKeyHZWNJEKXIMQPIE-UHFFFAOYSA-N
XLogP4.62
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3995493
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 41209159
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
CID 6737843
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 24599427) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HZWNJEKXIMQPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-22-15-14-20(27-28(22)18-6-2-1-3-7-18)23(30)25-17-12-10-16(11-13-17)24-26-19-8-4-5-9-21(19)31-24/h1-13H,14-15H2,(H,25,30).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24599427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).