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

C11H12N4O3 — CID 110660512

IUPACN-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccc(=O)[nH]n2)o1
InChIInChI=1S/C11H12N4O3/c1-7-6-13-10(18-7)4-5-12-11(17)8-2-3-9(16)15-14-8/h2-3,6H,4-5H2,1H3,(H,12,17)(H,15,16)
InChIKeyJGPFWVCQYAILOH-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.04
Rot. Bonds4

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

N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110660512) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110660512
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccc(=O)[nH]n2)o1
InChIInChI=1S/C11H12N4O3/c1-7-6-13-10(18-7)4-5-12-11(17)8-2-3-9(16)15-14-8/h2-3,6H,4-5H2,1H3,(H,12,17)(H,15,16)
InChIKeyJGPFWVCQYAILOH-UHFFFAOYSA-N
XLogP0.04
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110660512) is N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1cnc(CCNC(=O)c2ccc(=O)[nH]n2)o1.
What is the InChIKey of N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JGPFWVCQYAILOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-6-13-10(18-7)4-5-12-11(17)8-2-3-9(16)15-14-8/h2-3,6H,4-5H2,1H3,(H,12,17)(H,15,16).
What are the key properties of N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(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 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110660512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).