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

C23H22N4O4 — CID 53056339

IUPACN-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O)c1ccccc1
InChIInChI=1S/C23H22N4O4/c1-4-26(17-10-6-5-7-11-17)19(28)14-27-23(29)22-20(15(2)31-25-22)21(24-27)16-9-8-12-18(13-16)30-3/h5-13H,4,14H2,1-3H3
InChIKeyBUYDDWVLMNXJNL-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.42
Rot. Bonds6

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

N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide (PubChem CID 53056339) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 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-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
PubChem CID53056339
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O)c1ccccc1
InChIInChI=1S/C23H22N4O4/c1-4-26(17-10-6-5-7-11-17)19(28)14-27-23(29)22-20(15(2)31-25-22)21(24-27)16-9-8-12-18(13-16)30-3/h5-13H,4,14H2,1-3H3
InChIKeyBUYDDWVLMNXJNL-UHFFFAOYSA-N
XLogP3.42
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.42
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-(3-methylphenyl)acetamide
CID 53056344
6-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291312
(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
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
2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056462
N-(2-ethoxyphenyl)-2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]acetamide
CID 53056458
6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 14873184
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
6-butyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 23279707
4-(3-methyl-7-oxo-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)butanoic acid
CID 10567150

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-phenylacetamide?
The IUPAC name of N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide (CID 53056339) is N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide.
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-phenylacetamide?
The canonical SMILES for N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide is CCN(C(=O)Cn1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O)c1ccccc1.
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-phenylacetamide?
The InChIKey is BUYDDWVLMNXJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-4-26(17-10-6-5-7-11-17)19(28)14-27-23(29)22-20(15(2)31-25-22)21(24-27)16-9-8-12-18(13-16)30-3/h5-13H,4,14H2,1-3H3.
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-phenylacetamide?
N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide has a molecular weight of 418.45 g/mol, XLogP of 3.42, 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-phenylacetamide is sourced from PubChem (CID 53056339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).