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

C20H15FN4O3S — CID 46960501

IUPACN-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
SMILESCc1cc(-c2cc(=O)n(CC(=O)Nc3ccccc3F)nc2-c2cccs2)on1
InChIInChI=1S/C20H15FN4O3S/c1-12-9-16(28-24-12)13-10-19(27)25(23-20(13)17-7-4-8-29-17)11-18(26)22-15-6-3-2-5-14(15)21/h2-10H,11H2,1H3,(H,22,26)
InChIKeySNMILKBWBFNOAH-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.71
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide (PubChem CID 46960501) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
PubChem CID46960501
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC NameN-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
SMILESCc1cc(-c2cc(=O)n(CC(=O)Nc3ccccc3F)nc2-c2cccs2)on1
InChIInChI=1S/C20H15FN4O3S/c1-12-9-16(28-24-12)13-10-19(27)25(23-20(13)17-7-4-8-29-17)11-18(26)22-15-6-3-2-5-14(15)21/h2-10H,11H2,1H3,(H,22,26)
InChIKeySNMILKBWBFNOAH-UHFFFAOYSA-N
XLogP3.71
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.71
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-(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-[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-[(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-(3,3-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-[(4-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799144
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
2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide
CID 95799655
2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 53155385
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
N-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254206

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide (CID 46960501) is N-(2-fluorophenyl)-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-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide is Cc1cc(-c2cc(=O)n(CC(=O)Nc3ccccc3F)nc2-c2cccs2)on1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The InChIKey is SNMILKBWBFNOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-12-9-16(28-24-12)13-10-19(27)25(23-20(13)17-7-4-8-29-17)11-18(26)22-15-6-3-2-5-14(15)21/h2-10H,11H2,1H3,(H,22,26).
What are the key properties of N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide has a molecular weight of 410.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 46960501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).