2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile

C15H12N4O3 — CID 18128366

IUPAC2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1nn(Cc2cc(-c3ccco3)on2)c(=O)c(C#N)c1C
InChIInChI=1S/C15H12N4O3/c1-9-10(2)17-19(15(20)12(9)7-16)8-11-6-14(22-18-11)13-4-3-5-21-13/h3-6H,8H2,1-2H3
InChIKeyWJYUIWJYXPKKIS-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.03
Rot. Bonds3

About 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 18128366) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
PubChem CID18128366
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1nn(Cc2cc(-c3ccco3)on2)c(=O)c(C#N)c1C
InChIInChI=1S/C15H12N4O3/c1-9-10(2)17-19(15(20)12(9)7-16)8-11-6-14(22-18-11)13-4-3-5-21-13/h3-6H,8H2,1-2H3
InChIKeyWJYUIWJYXPKKIS-UHFFFAOYSA-N
XLogP2.03
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile (CID 18128366) is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile is Cc1nn(Cc2cc(-c3ccco3)on2)c(=O)c(C#N)c1C.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is WJYUIWJYXPKKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-9-10(2)17-19(15(20)12(9)7-16)8-11-6-14(22-18-11)13-4-3-5-21-13/h3-6H,8H2,1-2H3.
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 296.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 18128366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).