N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H15N5O3 — CID 71915783

IUPACN-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C)c1nc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2o1
InChIInChI=1S/C15H15N5O3/c1-19(2)15-17-11-8-9(4-6-12(11)23-15)16-14(22)10-5-7-13(21)20(3)18-10/h4-8H,1-3H3,(H,16,22)
InChIKeyDGQUKINWCNOXNN-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.24
Rot. Bonds3

About N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 71915783) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID71915783
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C)c1nc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2o1
InChIInChI=1S/C15H15N5O3/c1-19(2)15-17-11-8-9(4-6-12(11)23-15)16-14(22)10-5-7-13(21)20(3)18-10/h4-8H,1-3H3,(H,16,22)
InChIKeyDGQUKINWCNOXNN-UHFFFAOYSA-N
XLogP1.24
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 17398568
2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 120647339
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide
CID 71847465
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide
CID 119893477
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801059
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 71915783) is N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide is CN(C)c1nc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2o1.
What is the InChIKey of N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is DGQUKINWCNOXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-19(2)15-17-11-8-9(4-6-12(11)23-15)16-14(22)10-5-7-13(21)20(3)18-10/h4-8H,1-3H3,(H,16,22).
What are the key properties of N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 71915783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).