2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

C17H15N5O4 — CID 90515068

IUPAC2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCn2ncccc2=O)co1)c1ccccc1
InChIInChI=1S/C17H15N5O4/c23-14-7-4-8-19-22(14)10-9-18-16(25)13-11-26-17(20-13)21-15(24)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,18,25)(H,20,21,24)
InChIKeyYETALTQEXRUPDF-UHFFFAOYSA-N
MW353.34 g/mol
LogP0.91
Rot. Bonds6

About 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide

2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 90515068) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID90515068
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Name2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCn2ncccc2=O)co1)c1ccccc1
InChIInChI=1S/C17H15N5O4/c23-14-7-4-8-19-22(14)10-9-18-16(25)13-11-26-17(20-13)21-15(24)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,18,25)(H,20,21,24)
InChIKeyYETALTQEXRUPDF-UHFFFAOYSA-N
XLogP0.91
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 90515066
2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948534
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515471
2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925
4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 42226635
2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
CID 91669614
1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121066688
2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
CID 90514961
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515047
2-phenacylpyridazin-3-one
CID 62851024
3-(6-oxopyridazin-1-yl)propanoic acid
CID 62850301

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 90515068) is 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)NCCn2ncccc2=O)co1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YETALTQEXRUPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c23-14-7-4-8-19-22(14)10-9-18-16(25)13-11-26-17(20-13)21-15(24)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,18,25)(H,20,21,24).
What are the key properties of 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).