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

C14H16N4O3 — CID 121066938

IUPAC1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2onc3c2CCCC3)ccc1=O
InChIInChI=1S/C14H16N4O3/c1-2-18-12(19)8-7-11(16-18)13(20)15-14-9-5-3-4-6-10(9)17-21-14/h7-8H,2-6H2,1H3,(H,15,20)
InChIKeyDOOPXFYOZGWUBZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.38
Rot. Bonds3

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

1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide (PubChem CID 121066938) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
PubChem CID121066938
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2onc3c2CCCC3)ccc1=O
InChIInChI=1S/C14H16N4O3/c1-2-18-12(19)8-7-11(16-18)13(20)15-14-9-5-3-4-6-10(9)17-21-14/h7-8H,2-6H2,1H3,(H,15,20)
InChIKeyDOOPXFYOZGWUBZ-UHFFFAOYSA-N
XLogP1.38
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
CID 121067050
2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942469
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
4-benzyl-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942332
1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 121066972
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 110001003
N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 139521601
1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 121066878
N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 111426076
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
CID 111115815

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide (CID 121066938) is 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide is CCn1nc(C(=O)Nc2onc3c2CCCC3)ccc1=O.
What is the InChIKey of 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide?
The InChIKey is DOOPXFYOZGWUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-18-12(19)8-7-11(16-18)13(20)15-14-9-5-3-4-6-10(9)17-21-14/h7-8H,2-6H2,1H3,(H,15,20).
What are the key properties of 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide?
1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 121066938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).