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

About 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

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 (PubChem CID 174461777) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	174461777
Molecular Formula	C25H26N4O5
Molecular Weight	462.51 g/mol
Exact Mass	462.19
IUPAC Name	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
SMILES	CC[C@@H]1CC(C=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC)c(O)c1
InChI	InChI=1S/C25H26N4O5/c1-3-17-10-20(14-30)29(28-24(17)18-6-9-22(33-2)21(31)11-18)13-16-4-7-19(8-5-16)27-25(32)23-12-26-15-34-23/h4-9,11-12,14-15,17,20,31H,3,10,13H2,1-2H3,(H,27,32)/t17-,20?/m1/s1
InChIKey	XQOFDEUHWVWYHD-DIAVIDTQSA-N
XLogP	3.84
TPSA	117.26 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC[C@@H]1CC(C=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC)c(O)c1.

What is the InChIKey of 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?

The InChIKey is XQOFDEUHWVWYHD-DIAVIDTQSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-3-17-10-20(14-30)29(28-24(17)18-6-9-22(33-2)21(31)11-18)13-16-4-7-19(8-5-16)27-25(32)23-12-26-15-34-23/h4-9,11-12,14-15,17,20,31H,3,10,13H2,1-2H3,(H,27,32)/t17-,20?/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 462.51 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 174461777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).