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

C12H16N4O3 — CID 38304018

IUPACN,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)C2=NN(C)C(=O)CC2)no1
InChIInChI=1S/C12H16N4O3/c1-8-6-9(14-19-8)7-15(2)12(18)10-4-5-11(17)16(3)13-10/h6H,4-5,7H2,1-3H3
InChIKeyGUDXRBRYEDDXSI-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.55
Rot. Bonds3

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

N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 38304018) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID38304018
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)C2=NN(C)C(=O)CC2)no1
InChIInChI=1S/C12H16N4O3/c1-8-6-9(14-19-8)7-15(2)12(18)10-4-5-11(17)16(3)13-10/h6H,4-5,7H2,1-3H3
InChIKeyGUDXRBRYEDDXSI-UHFFFAOYSA-N
XLogP0.55
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 38304018) is N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cc(CN(C)C(=O)C2=NN(C)C(=O)CC2)no1.
What is the InChIKey of N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is GUDXRBRYEDDXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-6-9(14-19-8)7-15(2)12(18)10-4-5-11(17)16(3)13-10/h6H,4-5,7H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 38304018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).