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

C21H21FN4O4 — CID 42630019

IUPAC6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CCOCC2)nn1
InChIInChI=1S/C21H21FN4O4/c1-13-17(20(26-30-13)14-2-4-15(22)5-3-14)12-29-19-7-6-18(24-25-19)21(27)23-16-8-10-28-11-9-16/h2-7,16H,8-12H2,1H3,(H,23,27)
InChIKeyRHILJUGFGOXKEM-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.07
Rot. Bonds6

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

6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 42630019) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID42630019
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CCOCC2)nn1
InChIInChI=1S/C21H21FN4O4/c1-13-17(20(26-30-13)14-2-4-15(22)5-3-14)12-29-19-7-6-18(24-25-19)21(27)23-16-8-10-28-11-9-16/h2-7,16H,8-12H2,1H3,(H,23,27)
InChIKeyRHILJUGFGOXKEM-UHFFFAOYSA-N
XLogP3.07
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 42630019) is 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide is Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CCOCC2)nn1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is RHILJUGFGOXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c1-13-17(20(26-30-13)14-2-4-15(22)5-3-14)12-29-19-7-6-18(24-25-19)21(27)23-16-8-10-28-11-9-16/h2-7,16H,8-12H2,1H3,(H,23,27).
What are the key properties of 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 42630019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).