2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one

C17H17ClN4O3 — CID 3574796

IUPAC2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one
SMILESCC(C)(C)n1ncc(OCc2nnc(-c3ccccc3)o2)c(Cl)c1=O
InChIInChI=1S/C17H17ClN4O3/c1-17(2,3)22-16(23)14(18)12(9-19-22)24-10-13-20-21-15(25-13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyWIUBAWPIVCLZHL-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.28
Rot. Bonds4

About 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one

2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one (PubChem CID 3574796) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one
PubChem CID3574796
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one
SMILESCC(C)(C)n1ncc(OCc2nnc(-c3ccccc3)o2)c(Cl)c1=O
InChIInChI=1S/C17H17ClN4O3/c1-17(2,3)22-16(23)14(18)12(9-19-22)24-10-13-20-21-15(25-13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyWIUBAWPIVCLZHL-UHFFFAOYSA-N
XLogP3.28
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one (CID 3574796) is 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one is CC(C)(C)n1ncc(OCc2nnc(-c3ccccc3)o2)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one?
The InChIKey is WIUBAWPIVCLZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-17(2,3)22-16(23)14(18)12(9-19-22)24-10-13-20-21-15(25-13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one has a molecular weight of 360.80 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]pyridazin-3-one is sourced from PubChem (CID 3574796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).