N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide

C25H25FN4O5 — CID 142234379

IUPACN-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(F)c(OC)c1OC
InChIInChI=1S/C25H25FN4O5/c1-4-16-11-21(31)30(29-22(16)18-9-10-19(26)24(34-3)23(18)33-2)13-15-5-7-17(8-6-15)28-25(32)20-12-27-14-35-20/h5-10,12,14,16H,4,11,13H2,1-3H3,(H,28,32)
InChIKeyBFQUQKNTKYHQNF-UHFFFAOYSA-N
MW480.50 g/mol
LogP4.25
Rot. Bonds8

About N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide

N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 142234379) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
PubChem CID142234379
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC NameN-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(F)c(OC)c1OC
InChIInChI=1S/C25H25FN4O5/c1-4-16-11-21(31)30(29-22(16)18-9-10-19(26)24(34-3)23(18)33-2)13-15-5-7-17(8-6-15)28-25(32)20-12-27-14-35-20/h5-10,12,14,16H,4,11,13H2,1-3H3,(H,28,32)
InChIKeyBFQUQKNTKYHQNF-UHFFFAOYSA-N
XLogP4.25
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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-[[(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-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
CID 18623546
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
6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
CID 54029345
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299850
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-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
CID 54321574
methyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623316
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1H-pyrrole-2-carboxamide
CID 54305880

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 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) is N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-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(F)c(OC)c1OC.
What is the InChIKey of N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is BFQUQKNTKYHQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-4-16-11-21(31)30(29-22(16)18-9-10-19(26)24(34-3)23(18)33-2)13-15-5-7-17(8-6-15)28-25(32)20-12-27-14-35-20/h5-10,12,14,16H,4,11,13H2,1-3H3,(H,28,32).
What are the key properties of N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 142234379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).