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

C14H12N4O3 — CID 17398568

IUPAC1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2o1
InChIInChI=1S/C14H12N4O3/c1-8-15-11-7-9(3-5-12(11)21-8)16-14(20)10-4-6-13(19)18(2)17-10/h3-7H,1-2H3,(H,16,20)
InChIKeyIGLQOKIVZQCYQG-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.48
Rot. Bonds2

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

1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 17398568) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID17398568
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2o1
InChIInChI=1S/C14H12N4O3/c1-8-15-11-7-9(3-5-12(11)21-8)16-14(20)10-4-6-13(19)18(2)17-10/h3-7H,1-2H3,(H,16,20)
InChIKeyIGLQOKIVZQCYQG-UHFFFAOYSA-N
XLogP1.48
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71915783
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
CID 9490444
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
N-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112525565
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
N-(2-methyl-1,3-benzoxazol-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 46491961
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 17398568) is 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide is Cc1nc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2o1.
What is the InChIKey of 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is IGLQOKIVZQCYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-8-15-11-7-9(3-5-12(11)21-8)16-14(20)10-4-6-13(19)18(2)17-10/h3-7H,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide?
1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 17398568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).