1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide

C23H24N4O3 — CID 55620275

IUPAC1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3ccc4oc(C(C)C)nc4c3)CCC2=O)c1
InChIInChI=1S/C23H24N4O3/c1-13(2)23-25-18-12-16(7-9-20(18)30-23)24-22(29)17-8-10-21(28)27(26-17)19-11-14(3)5-6-15(19)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,24,29)
InChIKeyPPYURZBUJVEOJC-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.69
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55620275) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID55620275
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3ccc4oc(C(C)C)nc4c3)CCC2=O)c1
InChIInChI=1S/C23H24N4O3/c1-13(2)23-25-18-12-16(7-9-20(18)30-23)24-22(29)17-8-10-21(28)27(26-17)19-11-14(3)5-6-15(19)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,24,29)
InChIKeyPPYURZBUJVEOJC-UHFFFAOYSA-N
XLogP4.69
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8702036
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
1-(2,5-dimethylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30258041
1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 30249387
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26289227
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904
1-(2,5-dimethylphenyl)-6-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 35227922
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
1-(2,5-dimethylphenyl)-6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide
CID 71897374
5-methyl-1-(4-methylphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)triazole-4-carboxamide
CID 55910593

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide (CID 55620275) is 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc4oc(C(C)C)nc4c3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PPYURZBUJVEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-13(2)23-25-18-12-16(7-9-20(18)30-23)24-22(29)17-8-10-21(28)27(26-17)19-11-14(3)5-6-15(19)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,24,29).
What are the key properties of 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55620275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).