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

C18H17FN4O4 — CID 42630132

IUPAC6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCCO)nn1
InChIInChI=1S/C18H17FN4O4/c1-11-14(17(23-27-11)12-3-2-4-13(19)9-12)10-26-16-6-5-15(21-22-16)18(25)20-7-8-24/h2-6,9,24H,7-8,10H2,1H3,(H,20,25)
InChIKeyHDFDCJWJCFTVLK-UHFFFAOYSA-N
MW372.36 g/mol
LogP1.88
Rot. Bonds7

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

6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide (PubChem CID 42630132) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide
PubChem CID42630132
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCCO)nn1
InChIInChI=1S/C18H17FN4O4/c1-11-14(17(23-27-11)12-3-2-4-13(19)9-12)10-26-16-6-5-15(21-22-16)18(25)20-7-8-24/h2-6,9,24H,7-8,10H2,1H3,(H,20,25)
InChIKeyHDFDCJWJCFTVLK-UHFFFAOYSA-N
XLogP1.88
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(2-hydroxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide (CID 42630132) is 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide is Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCCO)nn1.
What is the InChIKey of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide?
The InChIKey is HDFDCJWJCFTVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-11-14(17(23-27-11)12-3-2-4-13(19)9-12)10-26-16-6-5-15(21-22-16)18(25)20-7-8-24/h2-6,9,24H,7-8,10H2,1H3,(H,20,25).
What are the key properties of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide?
6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridazine-3-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-(2-hydroxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 42630132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).