6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide

C17H15FN4O3 — CID 67158058

IUPAC6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nn1
InChIInChI=1S/C17H15FN4O3/c1-10-13(16(22-25-10)11-4-3-5-12(18)8-11)9-24-15-7-6-14(20-21-15)17(23)19-2/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyISNZXRBCZSGBMZ-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.52
Rot. Bonds5

About 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide

6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide (PubChem CID 67158058) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide
PubChem CID67158058
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nn1
InChIInChI=1S/C17H15FN4O3/c1-10-13(16(22-25-10)11-4-3-5-12(18)8-11)9-24-15-7-6-14(20-21-15)17(23)19-2/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyISNZXRBCZSGBMZ-UHFFFAOYSA-N
XLogP2.52
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide (CID 67158058) is 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nn1.
What is the InChIKey of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide?
The InChIKey is ISNZXRBCZSGBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-10-13(16(22-25-10)11-4-3-5-12(18)8-11)9-24-15-7-6-14(20-21-15)17(23)19-2/h3-8H,9H2,1-2H3,(H,19,23).
What are the key properties of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide?
6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 67158058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).