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

C26H28N4O5 — CID 54191312

IUPACN-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4cnco4)cc3)C(=O)CC2CC)cc1OC
InChIInChI=1S/C26H28N4O5/c1-4-18-13-24(31)30(29-25(18)19-8-11-21(34-5-2)22(12-19)33-3)15-17-6-9-20(10-7-17)28-26(32)23-14-27-16-35-23/h6-12,14,16,18H,4-5,13,15H2,1-3H3,(H,28,32)
InChIKeyPISLJLPWUAJECG-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.50
Rot. Bonds9

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

N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 54191312) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[4-[[3-(4-ethoxy-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-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
PubChem CID54191312
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
SMILESCCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4cnco4)cc3)C(=O)CC2CC)cc1OC
InChIInChI=1S/C26H28N4O5/c1-4-18-13-24(31)30(29-25(18)19-8-11-21(34-5-2)22(12-19)33-3)15-17-6-9-20(10-7-17)28-26(32)23-14-27-16-35-23/h6-12,14,16,18H,4-5,13,15H2,1-3H3,(H,28,32)
InChIKeyPISLJLPWUAJECG-UHFFFAOYSA-N
XLogP4.50
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-ethoxy-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-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (CID 54191312) is N-[4-[[3-(4-ethoxy-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-ethoxy-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-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is CCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4cnco4)cc3)C(=O)CC2CC)cc1OC.
What is the InChIKey of N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is PISLJLPWUAJECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-4-18-13-24(31)30(29-25(18)19-8-11-21(34-5-2)22(12-19)33-3)15-17-6-9-20(10-7-17)28-26(32)23-14-27-16-35-23/h6-12,14,16,18H,4-5,13,15H2,1-3H3,(H,28,32).
What are the key properties of N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.50, 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-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 54191312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).