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

C11H12N4O3 — CID 47916250

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H12N4O3/c1-6-8(7(2)18-15-6)5-12-11(17)9-3-4-10(16)14-13-9/h3-4H,5H2,1-2H3,(H,12,17)(H,14,16)
InChIKeyVTAZBPNAHNSNKD-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.30
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47916250) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47916250
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H12N4O3/c1-6-8(7(2)18-15-6)5-12-11(17)9-3-4-10(16)14-13-9/h3-4H,5H2,1-2H3,(H,12,17)(H,14,16)
InChIKeyVTAZBPNAHNSNKD-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 79237761
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113248414
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47916064
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110669835
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746244
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide
CID 114035994
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 79230873
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 47916250) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1noc(C)c1CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VTAZBPNAHNSNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-8(7(2)18-15-6)5-12-11(17)9-3-4-10(16)14-13-9/h3-4H,5H2,1-2H3,(H,12,17)(H,14,16).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47916250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).