[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate

C17H22N4O5 — CID 66643927

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
SMILESCCCCc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(N)=O)nn1
InChIInChI=1S/C17H22N4O5/c1-4-5-6-13-12(10(2)26-21-13)9-24-15-8-7-14(19-20-15)17(23)25-11(3)16(18)22/h7-8,11H,4-6,9H2,1-3H3,(H2,18,22)/t11-/m1/s1
InChIKeyUZMLAGFHXAJRKF-LLVKDONJSA-N
MW362.39 g/mol
LogP1.73
Rot. Bonds9

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

[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate (PubChem CID 66643927) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
PubChem CID66643927
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
SMILESCCCCc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(N)=O)nn1
InChIInChI=1S/C17H22N4O5/c1-4-5-6-13-12(10(2)26-21-13)9-24-15-8-7-14(19-20-15)17(23)25-11(3)16(18)22/h7-8,11H,4-6,9H2,1-3H3,(H2,18,22)/t11-/m1/s1
InChIKeyUZMLAGFHXAJRKF-LLVKDONJSA-N
XLogP1.73
TPSA130.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate (CID 66643927) is [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate is CCCCc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(N)=O)nn1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate?
The InChIKey is UZMLAGFHXAJRKF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-4-5-6-13-12(10(2)26-21-13)9-24-15-8-7-14(19-20-15)17(23)25-11(3)16(18)22/h7-8,11H,4-6,9H2,1-3H3,(H2,18,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate?
[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate is sourced from PubChem (CID 66643927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).