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

C15H19N3O4 — CID 66643769

IUPACmethyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
SMILESCCCCc1noc(C)c1COc1cc(C(=O)OC)cnn1
InChIInChI=1S/C15H19N3O4/c1-4-5-6-13-12(10(2)22-18-13)9-21-14-7-11(8-16-17-14)15(19)20-3/h7-8H,4-6,9H2,1-3H3
InChIKeyBCOJMNICLUYHMW-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.48
Rot. Bonds7

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

methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate (PubChem CID 66643769) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
PubChem CID66643769
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
SMILESCCCCc1noc(C)c1COc1cc(C(=O)OC)cnn1
InChIInChI=1S/C15H19N3O4/c1-4-5-6-13-12(10(2)22-18-13)9-21-14-7-11(8-16-17-14)15(19)20-3/h7-8H,4-6,9H2,1-3H3
InChIKeyBCOJMNICLUYHMW-UHFFFAOYSA-N
XLogP2.48
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 66643929
[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 66643927
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 59568392
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate
CID 66643787
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 59568483
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
CID 158136847
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate?
The IUPAC name of methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate (CID 66643769) is methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate.
What is the SMILES notation for methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate?
The canonical SMILES for methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate is CCCCc1noc(C)c1COc1cc(C(=O)OC)cnn1.
What is the InChIKey of methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate?
The InChIKey is BCOJMNICLUYHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-5-6-13-12(10(2)22-18-13)9-21-14-7-11(8-16-17-14)15(19)20-3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate?
methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate is sourced from PubChem (CID 66643769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).