2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide

C18H20N4O3S — CID 95799655

IUPAC2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(-c2ccc(C)s2)c(-c2cc(C)no2)cc1=O
InChIInChI=1S/C18H20N4O3S/c1-4-7-19-16(23)10-22-17(24)9-13(14-8-11(2)21-25-14)18(20-22)15-6-5-12(3)26-15/h5-6,8-9H,4,7,10H2,1-3H3,(H,19,23)
InChIKeyVBBLUNAHCJAKFW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide

2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide (PubChem CID 95799655) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide
PubChem CID95799655
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(-c2ccc(C)s2)c(-c2cc(C)no2)cc1=O
InChIInChI=1S/C18H20N4O3S/c1-4-7-19-16(23)10-22-17(24)9-13(14-8-11(2)21-25-14)18(20-22)15-6-5-12(3)26-15/h5-6,8-9H,4,7,10H2,1-3H3,(H,19,23)
InChIKeyVBBLUNAHCJAKFW-UHFFFAOYSA-N
XLogP2.77
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 95799106
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-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide
CID 46950718
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 46960501
N-cyclopropyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 110215343
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
N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 110215344
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
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-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
CID 122278444
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide (CID 95799655) is 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide is CCCNC(=O)Cn1nc(-c2ccc(C)s2)c(-c2cc(C)no2)cc1=O.
What is the InChIKey of 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide?
The InChIKey is VBBLUNAHCJAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-7-19-16(23)10-22-17(24)9-13(14-8-11(2)21-25-14)18(20-22)15-6-5-12(3)26-15/h5-6,8-9H,4,7,10H2,1-3H3,(H,19,23).
What are the key properties of 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide?
2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide has a molecular weight of 372.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 95799655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).