N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C15H14N4O3S — CID 121076512

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2nc(-c3cccs3)ccc2=O)no1
InChIInChI=1S/C15H14N4O3S/c1-9-8-13(18-22-9)16-15(21)10(2)19-14(20)6-5-11(17-19)12-4-3-7-23-12/h3-8,10H,1-2H3,(H,16,18,21)
InChIKeyQADXYOSMMUHPAL-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.47
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 121076512) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID121076512
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2nc(-c3cccs3)ccc2=O)no1
InChIInChI=1S/C15H14N4O3S/c1-9-8-13(18-22-9)16-15(21)10(2)19-14(20)6-5-11(17-19)12-4-3-7-23-12/h3-8,10H,1-2H3,(H,16,18,21)
InChIKeyQADXYOSMMUHPAL-UHFFFAOYSA-N
XLogP2.47
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076536
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076688
N-cyclopentyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076614
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121076577
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121119360
N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076555
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40683418
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46519528
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 90516278
4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide
CID 121076669
(2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9318245

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 121076512) is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is Cc1cc(NC(=O)C(C)n2nc(-c3cccs3)ccc2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is QADXYOSMMUHPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-9-8-13(18-22-9)16-15(21)10(2)19-14(20)6-5-11(17-19)12-4-3-7-23-12/h3-8,10H,1-2H3,(H,16,18,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 330.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121076512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).