N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C19H14N4O3S — CID 71805068

IUPACN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCn1nc(-c2ccccc2NC(=O)c2cc(-c3cccs3)on2)ccc1=O
InChIInChI=1S/C19H14N4O3S/c1-23-18(24)9-8-14(21-23)12-5-2-3-6-13(12)20-19(25)15-11-16(26-22-15)17-7-4-10-27-17/h2-11H,1H3,(H,20,25)
InChIKeyWJAGSJAEWKZAAL-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 71805068) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID71805068
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCn1nc(-c2ccccc2NC(=O)c2cc(-c3cccs3)on2)ccc1=O
InChIInChI=1S/C19H14N4O3S/c1-23-18(24)9-8-14(21-23)12-5-2-3-6-13(12)20-19(25)15-11-16(26-22-15)17-7-4-10-27-17/h2-11H,1H3,(H,20,25)
InChIKeyWJAGSJAEWKZAAL-UHFFFAOYSA-N
XLogP3.42
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 71805067
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 90626205
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 71805033
N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022345
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253077
N-[(S)-phenyl(thiophen-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 92574304
N,5-bis(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 52904677
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 71805072
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 71805068) is N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cn1nc(-c2ccccc2NC(=O)c2cc(-c3cccs3)on2)ccc1=O.
What is the InChIKey of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WJAGSJAEWKZAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-23-18(24)9-8-14(21-23)12-5-2-3-6-13(12)20-19(25)15-11-16(26-22-15)17-7-4-10-27-17/h2-11H,1H3,(H,20,25).
What are the key properties of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71805068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).