N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C11H12N4O3 — CID 103949142

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(=O)[nH]n2)o1
InChIInChI=1S/C11H12N4O3/c1-6-5-12-11(18-6)7(2)13-10(17)8-3-4-9(16)15-14-8/h3-5,7H,1-2H3,(H,13,17)(H,15,16)
InChIKeyVGYDXLVPFHCLKQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.56
Rot. Bonds3

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103949142) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103949142
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(=O)[nH]n2)o1
InChIInChI=1S/C11H12N4O3/c1-6-5-12-11(18-6)7(2)13-10(17)8-3-4-9(16)15-14-8/h3-5,7H,1-2H3,(H,13,17)(H,15,16)
InChIKeyVGYDXLVPFHCLKQ-UHFFFAOYSA-N
XLogP0.56
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 103949142) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1cnc(C(C)NC(=O)c2ccc(=O)[nH]n2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VGYDXLVPFHCLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-5-12-11(18-6)7(2)13-10(17)8-3-4-9(16)15-14-8/h3-5,7H,1-2H3,(H,13,17)(H,15,16).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103949142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).