3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C15H13N3O2 — CID 1487437

IUPAC3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESC=CCn1nc(-c2ccccc2)c2c(C)onc2c1=O
InChIInChI=1S/C15H13N3O2/c1-3-9-18-15(19)14-12(10(2)20-17-14)13(16-18)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3
InChIKeyNYBMHBRHJMBONN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.55
Rot. Bonds3

About 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 1487437) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID1487437
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESC=CCn1nc(-c2ccccc2)c2c(C)onc2c1=O
InChIInChI=1S/C15H13N3O2/c1-3-9-18-15(19)14-12(10(2)20-17-14)13(16-18)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3
InChIKeyNYBMHBRHJMBONN-UHFFFAOYSA-N
XLogP2.55
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 1487437) is 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is C=CCn1nc(-c2ccccc2)c2c(C)onc2c1=O.
What is the InChIKey of 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is NYBMHBRHJMBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-3-9-18-15(19)14-12(10(2)20-17-14)13(16-18)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3.
What are the key properties of 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 267.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-6-prop-2-enyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 1487437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).