N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide

C25H24F2N4O5 — CID 54345414

IUPACN-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C25H24F2N4O5/c1-3-16-11-22(32)31(30-23(16)17-6-9-19(36-25(26)27)20(10-17)34-2)13-15-4-7-18(8-5-15)29-24(33)21-12-28-14-35-21/h4-10,12,14,16,25H,3,11,13H2,1-2H3,(H,29,33)
InChIKeyUBYYJNQLVFSYNF-UHFFFAOYSA-N
MW498.49 g/mol
LogP4.70
Rot. Bonds9

About N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide

N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 54345414) has the molecular formula C25H24F2N4O5 and a molecular weight of 498.49 g/mol. Its IUPAC name is N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
PubChem CID54345414
Molecular FormulaC25H24F2N4O5
Molecular Weight498.49 g/mol
Exact Mass498.17
IUPAC NameN-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C25H24F2N4O5/c1-3-16-11-22(32)31(30-23(16)17-6-9-19(36-25(26)27)20(10-17)34-2)13-15-4-7-18(8-5-15)29-24(33)21-12-28-14-35-21/h4-10,12,14,16,25H,3,11,13H2,1-2H3,(H,29,33)
InChIKeyUBYYJNQLVFSYNF-UHFFFAOYSA-N
XLogP4.70
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54191312
methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623412
N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 142234379
N-[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623510
N-[4-[[(5R)-5-ethyl-3-formyl-6-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 174461777
N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
CID 18623463
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299850
N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
CID 18623546
N-[4-[[6-ethyl-5-(3-hydroxy-4-methoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54056480
N-[4-[[5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-2-oxo-6H-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 54392104
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetyl chloride
CID 158765134
N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
CID 54321574

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (CID 54345414) is N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is CCC1CC(=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is UBYYJNQLVFSYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O5/c1-3-16-11-22(32)31(30-23(16)17-6-9-19(36-25(26)27)20(10-17)34-2)13-15-4-7-18(8-5-15)29-24(33)21-12-28-14-35-21/h4-10,12,14,16,25H,3,11,13H2,1-2H3,(H,29,33).
What are the key properties of N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 498.49 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 54345414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).