N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide

C24H24N4O4 — CID 53056344

IUPACN-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O)c1cccc(C)c1
InChIInChI=1S/C24H24N4O4/c1-5-27(18-10-6-8-15(2)12-18)20(29)14-28-24(30)23-21(16(3)32-26-23)22(25-28)17-9-7-11-19(13-17)31-4/h6-13H,5,14H2,1-4H3
InChIKeyXVNVZIJUIBCWQF-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.73
Rot. Bonds6

About N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide

N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53056344) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide
PubChem CID53056344
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O)c1cccc(C)c1
InChIInChI=1S/C24H24N4O4/c1-5-27(18-10-6-8-15(2)12-18)20(29)14-28-24(30)23-21(16(3)32-26-23)22(25-28)17-9-7-11-19(13-17)31-4/h6-13H,5,14H2,1-4H3
InChIKeyXVNVZIJUIBCWQF-UHFFFAOYSA-N
XLogP3.73
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056339
6-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291312
6-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(3-methoxyphenyl)-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291330
(2S)-N-benzyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-propan-2-ylbutanamide
CID 95064775
(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide
CID 95064934
2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056462
N-(2,6-dimethylphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 53056392
4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 10851017
N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]butanamide
CID 53056360
N-(2-ethoxyphenyl)-2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]acetamide
CID 53056458
N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392025
2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N,N-di(propan-2-yl)acetamide
CID 16906603

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide (CID 53056344) is N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide is CCN(C(=O)Cn1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is XVNVZIJUIBCWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-5-27(18-10-6-8-15(2)12-18)20(29)14-28-24(30)23-21(16(3)32-26-23)22(25-28)17-9-7-11-19(13-17)31-4/h6-13H,5,14H2,1-4H3.
What are the key properties of N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide?
N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53056344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).