(2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate

C18H15FN4O5 — CID 67158205

IUPAC(2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
SMILESCc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)OCC(N)=O)nn1
InChIInChI=1S/C18H15FN4O5/c1-10-13(17(23-28-10)11-3-2-4-12(19)7-11)8-26-16-6-5-14(21-22-16)18(25)27-9-15(20)24/h2-7H,8-9H2,1H3,(H2,20,24)
InChIKeyAGSCQXPYAFILIO-UHFFFAOYSA-N
MW386.34 g/mol
LogP1.80
Rot. Bonds7

About (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate

(2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate (PubChem CID 67158205) has the molecular formula C18H15FN4O5 and a molecular weight of 386.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
PubChem CID67158205
Molecular FormulaC18H15FN4O5
Molecular Weight386.34 g/mol
Exact Mass386.10
IUPAC Name(2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
SMILESCc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)OCC(N)=O)nn1
InChIInChI=1S/C18H15FN4O5/c1-10-13(17(23-28-10)11-3-2-4-12(19)7-11)8-26-16-6-5-14(21-22-16)18(25)27-9-15(20)24/h2-7H,8-9H2,1H3,(H2,20,24)
InChIKeyAGSCQXPYAFILIO-UHFFFAOYSA-N
XLogP1.80
TPSA130.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate (CID 67158205) is (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate is Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)OCC(N)=O)nn1.
What is the InChIKey of (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The InChIKey is AGSCQXPYAFILIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O5/c1-10-13(17(23-28-10)11-3-2-4-12(19)7-11)8-26-16-6-5-14(21-22-16)18(25)27-9-15(20)24/h2-7H,8-9H2,1H3,(H2,20,24).
What are the key properties of (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
(2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate has a molecular weight of 386.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate is sourced from PubChem (CID 67158205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).