4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C14H12ClN3O2 — CID 10851017

IUPAC4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(-c2cccc(Cl)c2)c2c(C)onc2c1=O
InChIInChI=1S/C14H12ClN3O2/c1-3-18-14(19)13-11(8(2)20-17-13)12(16-18)9-5-4-6-10(15)7-9/h4-7H,3H2,1-2H3
InChIKeyNSRWPSRPJOFJLG-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.03
Rot. Bonds2

About 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 10851017) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID10851017
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(-c2cccc(Cl)c2)c2c(C)onc2c1=O
InChIInChI=1S/C14H12ClN3O2/c1-3-18-14(19)13-11(8(2)20-17-13)12(16-18)9-5-4-6-10(15)7-9/h4-7H,3H2,1-2H3
InChIKeyNSRWPSRPJOFJLG-UHFFFAOYSA-N
XLogP3.03
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 10851017) is 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is CCn1nc(-c2cccc(Cl)c2)c2c(C)onc2c1=O.
What is the InChIKey of 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is NSRWPSRPJOFJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-3-18-14(19)13-11(8(2)20-17-13)12(16-18)9-5-4-6-10(15)7-9/h4-7H,3H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 289.72 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 10851017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).