ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate

C18H17N3O4 — CID 42630254

IUPACethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nn1
InChIInChI=1S/C18H17N3O4/c1-3-23-18(22)15-9-10-16(20-19-15)24-11-14-12(2)25-21-17(14)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyPCYPNCVHVIUSCJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.20
Rot. Bonds6

About ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate

ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate (PubChem CID 42630254) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
PubChem CID42630254
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nn1
InChIInChI=1S/C18H17N3O4/c1-3-23-18(22)15-9-10-16(20-19-15)24-11-14-12(2)25-21-17(14)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyPCYPNCVHVIUSCJ-UHFFFAOYSA-N
XLogP3.20
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate (CID 42630254) is ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate is CCOC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nn1.
What is the InChIKey of ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate?
The InChIKey is PCYPNCVHVIUSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-23-18(22)15-9-10-16(20-19-15)24-11-14-12(2)25-21-17(14)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate?
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate is sourced from PubChem (CID 42630254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).