N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide

C21H16ClN5O3 — CID 53157403

IUPACN-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2nc(-c3ccccc3)no2)ccc1=O)NCc1ccccc1Cl
InChIInChI=1S/C21H16ClN5O3/c22-16-9-5-4-8-15(16)12-23-18(28)13-27-19(29)11-10-17(25-27)21-24-20(26-30-21)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,28)
InChIKeyLJRKJIRPVQFGCN-UHFFFAOYSA-N
MW421.84 g/mol
LogP2.93
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide (PubChem CID 53157403) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
PubChem CID53157403
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2nc(-c3ccccc3)no2)ccc1=O)NCc1ccccc1Cl
InChIInChI=1S/C21H16ClN5O3/c22-16-9-5-4-8-15(16)12-23-18(28)13-27-19(29)11-10-17(25-27)21-24-20(26-30-21)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,28)
InChIKeyLJRKJIRPVQFGCN-UHFFFAOYSA-N
XLogP2.93
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]-N-phenylacetamide
CID 53157385
N-[(2-chlorophenyl)methyl]-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366753
N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157399
N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 50759593
2-[5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 50760815
4-[[[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]methyl]benzoic acid
CID 53370001
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47865933
N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157397
2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53157360
N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900423
N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 166596701
N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885126

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide (CID 53157403) is N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide is O=C(Cn1nc(-c2nc(-c3ccccc3)no2)ccc1=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
The InChIKey is LJRKJIRPVQFGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c22-16-9-5-4-8-15(16)12-23-18(28)13-27-19(29)11-10-17(25-27)21-24-20(26-30-21)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide has a molecular weight of 421.84 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 53157403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).