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

C18H17FN4O3 — CID 42630250

IUPACN-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nn1
InChIInChI=1S/C18H17FN4O3/c1-3-20-18(24)15-7-8-16(22-21-15)25-10-14-11(2)26-23-17(14)12-5-4-6-13(19)9-12/h4-9H,3,10H2,1-2H3,(H,20,24)
InChIKeyIIUWAUWBTXJNLN-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.91
Rot. Bonds6

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

N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (PubChem CID 42630250) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
PubChem CID42630250
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC NameN-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nn1
InChIInChI=1S/C18H17FN4O3/c1-3-20-18(24)15-7-8-16(22-21-15)25-10-14-11(2)26-23-17(14)12-5-4-6-13(19)9-12/h4-9H,3,10H2,1-2H3,(H,20,24)
InChIKeyIIUWAUWBTXJNLN-UHFFFAOYSA-N
XLogP2.91
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (CID 42630250) is N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is CCNC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nn1.
What is the InChIKey of N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The InChIKey is IIUWAUWBTXJNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-3-20-18(24)15-7-8-16(22-21-15)25-10-14-11(2)26-23-17(14)12-5-4-6-13(19)9-12/h4-9H,3,10H2,1-2H3,(H,20,24).
What are the key properties of N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 42630250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).