N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide

C24H22ClN5O3 — CID 55870987

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C24H22ClN5O3/c1-2-14-29(15-21-26-27-24(33-21)18-10-6-7-11-19(18)25)23(32)16-30-22(31)13-12-20(28-30)17-8-4-3-5-9-17/h3-13H,2,14-16H2,1H3
InChIKeyMHOXZBOGSZKFJM-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.05
Rot. Bonds8

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide (PubChem CID 55870987) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
PubChem CID55870987
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C24H22ClN5O3/c1-2-14-29(15-21-26-27-24(33-21)18-10-6-7-11-19(18)25)23(32)16-30-22(31)13-12-20(28-30)17-8-4-3-5-9-17/h3-13H,2,14-16H2,1H3
InChIKeyMHOXZBOGSZKFJM-UHFFFAOYSA-N
XLogP4.05
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide
CID 55450775
2-[(4-chlorophenyl)methylsulfanyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361355
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide
CID 55361317
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
CID 55361158
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-nitrophenyl)-N-propylacetamide
CID 55361092
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 55494480
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(2-oxopiperidin-1-yl)-N-propylbenzamide
CID 55429486
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 78788628

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide (CID 55870987) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide?
The InChIKey is MHOXZBOGSZKFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-2-14-29(15-21-26-27-24(33-21)18-10-6-7-11-19(18)25)23(32)16-30-22(31)13-12-20(28-30)17-8-4-3-5-9-17/h3-13H,2,14-16H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide has a molecular weight of 463.93 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide is sourced from PubChem (CID 55870987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).