N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H14N4O3 — CID 106375981

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2=NNC(=O)CC2)o1
InChIInChI=1S/C11H14N4O3/c1-2-7-5-12-10(18-7)6-13-11(17)8-3-4-9(16)15-14-8/h5H,2-4,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyJALZDMZWDPZXCQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.12
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 106375981) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID106375981
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2=NNC(=O)CC2)o1
InChIInChI=1S/C11H14N4O3/c1-2-7-5-12-10(18-7)6-13-11(17)8-3-4-9(16)15-14-8/h5H,2-4,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyJALZDMZWDPZXCQ-UHFFFAOYSA-N
XLogP0.12
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

1-(5-ethyl-1,3-oxazol-2-yl)-N-methylethanamine
CID 65181734
4-Amino-3-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-dihydropyrazol-5-one
CID 82401416
2-[4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103275093
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pentan-2-amine
CID 103275268
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine
CID 103714473
(2R)-2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103797046
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103797052
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951374
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 104069636
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]hexan-2-amine
CID 104889427
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclohexanamine
CID 104889447
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 104890840

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 106375981) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCc1cnc(CNC(=O)C2=NNC(=O)CC2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is JALZDMZWDPZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-2-7-5-12-10(18-7)6-13-11(17)8-3-4-9(16)15-14-8/h5H,2-4,6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 0.12, 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-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 106375981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).