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

C11H12N4O3 — CID 104890840

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccc(=O)[nH]n2)o1
InChIInChI=1S/C11H12N4O3/c1-2-7-5-12-10(18-7)6-13-11(17)8-3-4-9(16)15-14-8/h3-5H,2,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyDPZVSMMLQMNXOY-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.25
Rot. Bonds4

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 104890840) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID104890840
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccc(=O)[nH]n2)o1
InChIInChI=1S/C11H12N4O3/c1-2-7-5-12-10(18-7)6-13-11(17)8-3-4-9(16)15-14-8/h3-5H,2,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyDPZVSMMLQMNXOY-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 104890840) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is CCc1cnc(CNC(=O)c2ccc(=O)[nH]n2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DPZVSMMLQMNXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-2-7-5-12-10(18-7)6-13-11(17)8-3-4-9(16)15-14-8/h3-5H,2,6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 104890840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).