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

C21H16F2N4O3S — CID 95799658

IUPACN-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cc(-c2cc(=O)n(CC(=O)Nc3ccc(F)cc3F)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C21H16F2N4O3S/c1-11-7-17(30-26-11)14-9-20(29)27(25-21(14)18-6-3-12(2)31-18)10-19(28)24-16-5-4-13(22)8-15(16)23/h3-9H,10H2,1-2H3,(H,24,28)
InChIKeyACFXXZWFQMFWDO-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.16
Rot. Bonds5

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

N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 95799658) has the molecular formula C21H16F2N4O3S and a molecular weight of 442.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID95799658
Molecular FormulaC21H16F2N4O3S
Molecular Weight442.45 g/mol
Exact Mass442.09
IUPAC NameN-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cc(-c2cc(=O)n(CC(=O)Nc3ccc(F)cc3F)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C21H16F2N4O3S/c1-11-7-17(30-26-11)14-9-20(29)27(25-21(14)18-6-3-12(2)31-18)10-19(28)24-16-5-4-13(22)8-15(16)23/h3-9H,10H2,1-2H3,(H,24,28)
InChIKeyACFXXZWFQMFWDO-UHFFFAOYSA-N
XLogP4.16
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 95799658) is N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is Cc1cc(-c2cc(=O)n(CC(=O)Nc3ccc(F)cc3F)nc2-c2ccc(C)s2)on1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is ACFXXZWFQMFWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3S/c1-11-7-17(30-26-11)14-9-20(29)27(25-21(14)18-6-3-12(2)31-18)10-19(28)24-16-5-4-13(22)8-15(16)23/h3-9H,10H2,1-2H3,(H,24,28).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 442.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 95799658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).