N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide

C17H18N4O4S — CID 95799106

IUPACN-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(-c2cccs2)c(-c2cc(C)no2)cc1=O
InChIInChI=1S/C17H18N4O4S/c1-11-8-13(25-20-11)12-9-16(23)21(10-15(22)18-5-6-24-2)19-17(12)14-4-3-7-26-14/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,22)
InChIKeyOGLPNWMNOXBCPK-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.70
Rot. Bonds7

About N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide (PubChem CID 95799106) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
PubChem CID95799106
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(-c2cccs2)c(-c2cc(C)no2)cc1=O
InChIInChI=1S/C17H18N4O4S/c1-11-8-13(25-20-11)12-9-16(23)21(10-15(22)18-5-6-24-2)19-17(12)14-4-3-7-26-14/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,22)
InChIKeyOGLPNWMNOXBCPK-UHFFFAOYSA-N
XLogP1.70
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 95799317
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 46960501
N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 95799115
2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide
CID 95799655
2-[(4-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799144
N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide
CID 46950718
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799108
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
2-[2-(3,3-dimethyl-4,7-dihydro-2H-azepin-1-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799307
2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799109
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 110215136
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide (CID 95799106) is N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide is COCCNC(=O)Cn1nc(-c2cccs2)c(-c2cc(C)no2)cc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The InChIKey is OGLPNWMNOXBCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-11-8-13(25-20-11)12-9-16(23)21(10-15(22)18-5-6-24-2)19-17(12)14-4-3-7-26-14/h3-4,7-9H,5-6,10H2,1-2H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 95799106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).