N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

C15H12ClFN4O3 — CID 53056489

IUPACN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2noc(C)c12
InChIInChI=1S/C15H12ClFN4O3/c1-7-13-8(2)24-20-14(13)15(23)21(19-7)6-12(22)18-9-3-4-11(17)10(16)5-9/h3-5H,6H2,1-2H3,(H,18,22)
InChIKeyNEEIMIUECOFRHA-UHFFFAOYSA-N
MW350.74 g/mol
LogP2.43
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (PubChem CID 53056489) has the molecular formula C15H12ClFN4O3 and a molecular weight of 350.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
PubChem CID53056489
Molecular FormulaC15H12ClFN4O3
Molecular Weight350.74 g/mol
Exact Mass350.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2noc(C)c12
InChIInChI=1S/C15H12ClFN4O3/c1-7-13-8(2)24-20-14(13)15(23)21(19-7)6-12(22)18-9-3-4-11(17)10(16)5-9/h3-5H,6H2,1-2H3,(H,18,22)
InChIKeyNEEIMIUECOFRHA-UHFFFAOYSA-N
XLogP2.43
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide
CID 53056535
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53056524
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 4805815
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53004694
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 53056326
3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2386658
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
N-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813110
N-(3-chloro-4-fluorophenyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499512

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (CID 53056489) is N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2noc(C)c12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The InChIKey is NEEIMIUECOFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O3/c1-7-13-8(2)24-20-14(13)15(23)21(19-7)6-12(22)18-9-3-4-11(17)10(16)5-9/h3-5H,6H2,1-2H3,(H,18,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide has a molecular weight of 350.74 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 53056489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).