2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one

C10H10IN3O2 — CID 114553507

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one
SMILESCc1nc(Cn2ncc(I)cc2=O)oc1C
InChIInChI=1S/C10H10IN3O2/c1-6-7(2)16-9(13-6)5-14-10(15)3-8(11)4-12-14/h3-4H,5H2,1-2H3
InChIKeyPRLXYRJBGQDGGO-UHFFFAOYSA-N
MW331.11 g/mol
LogP1.50
Rot. Bonds2

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one (PubChem CID 114553507) has the molecular formula C10H10IN3O2 and a molecular weight of 331.11 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one
PubChem CID114553507
Molecular FormulaC10H10IN3O2
Molecular Weight331.11 g/mol
Exact Mass330.98
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one
SMILESCc1nc(Cn2ncc(I)cc2=O)oc1C
InChIInChI=1S/C10H10IN3O2/c1-6-7(2)16-9(13-6)5-14-10(15)3-8(11)4-12-14/h3-4H,5H2,1-2H3
InChIKeyPRLXYRJBGQDGGO-UHFFFAOYSA-N
XLogP1.50
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one
CID 114553585
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione
CID 106373296
5-iodo-2-(1,2-oxazol-5-ylmethyl)pyridazin-3-one
CID 114553382
5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one
CID 114553619
5-iodo-2-[(5-nitrofuran-2-yl)methyl]pyridazin-3-one
CID 114553351
5-iodo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridazin-3-one
CID 114553671
5-iodo-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 114553349
2-[(3-bromophenyl)methyl]-5-iodopyridazin-3-one
CID 114553473
4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one
CID 106374052
2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-5-iodopyridazin-3-one
CID 103182081
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82903890
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 106376449

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one (CID 114553507) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one is Cc1nc(Cn2ncc(I)cc2=O)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one?
The InChIKey is PRLXYRJBGQDGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O2/c1-6-7(2)16-9(13-6)5-14-10(15)3-8(11)4-12-14/h3-4H,5H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one has a molecular weight of 331.11 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-iodopyridazin-3-one is sourced from PubChem (CID 114553507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).