1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide

C19H18N4O3 — CID 121067050

IUPAC1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1onc2c1CCCC2)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H18N4O3/c24-17-11-10-16(21-23(17)12-13-6-2-1-3-7-13)18(25)20-19-14-8-4-5-9-15(14)22-26-19/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,20,25)
InChIKeyFPTNXRKWPBWGPV-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.41
Rot. Bonds4

About 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide

1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide (PubChem CID 121067050) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
PubChem CID121067050
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1onc2c1CCCC2)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H18N4O3/c24-17-11-10-16(21-23(17)12-13-6-2-1-3-7-13)18(25)20-19-14-8-4-5-9-15(14)22-26-19/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,20,25)
InChIKeyFPTNXRKWPBWGPV-UHFFFAOYSA-N
XLogP2.41
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
CID 121066938
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 2482039
4-benzyl-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942332
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268
4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942451
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide
CID 2469379
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 16942524
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide (CID 121067050) is 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide is O=C(Nc1onc2c1CCCC2)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide?
The InChIKey is FPTNXRKWPBWGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-17-11-10-16(21-23(17)12-13-6-2-1-3-7-13)18(25)20-19-14-8-4-5-9-15(14)22-26-19/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,20,25).
What are the key properties of 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide?
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 121067050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).