2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide

C27H23N5O4 — CID 53367149

IUPAC2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H23N5O4/c33-24(28-21-11-13-22(14-12-21)35-18-19-7-3-1-4-8-19)17-32-25(34)16-15-23(30-32)27-29-26(31-36-27)20-9-5-2-6-10-20/h1-14H,15-18H2,(H,28,33)
InChIKeySEEMFUCGXDLBBX-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.28
Rot. Bonds8

About 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide

2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 53367149) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID53367149
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H23N5O4/c33-24(28-21-11-13-22(14-12-21)35-18-19-7-3-1-4-8-19)17-32-25(34)16-15-23(30-32)27-29-26(31-36-27)20-9-5-2-6-10-20/h1-14H,15-18H2,(H,28,33)
InChIKeySEEMFUCGXDLBBX-UHFFFAOYSA-N
XLogP4.28
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53490859
N-(3,4-dimethoxyphenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53367143
N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53157196
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53367215
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 53367193
methyl 4-[[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]benzoate
CID 53367233
4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 71823930
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 53367212
butyl 4-[[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]benzoate
CID 53367235
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 53367261
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one
CID 71823943
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 9034807

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide (CID 53367149) is 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide is O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is SEEMFUCGXDLBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c33-24(28-21-11-13-22(14-12-21)35-18-19-7-3-1-4-8-19)17-32-25(34)16-15-23(30-32)27-29-26(31-36-27)20-9-5-2-6-10-20/h1-14H,15-18H2,(H,28,33).
What are the key properties of 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide?
2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 481.51 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 53367149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).