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

C18H19ClN4O4 — CID 10927271

IUPAC2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
SMILESCOc1ccc(-c2nnc(COc3cnn(C(C)(C)C)c(=O)c3Cl)o2)cc1
InChIInChI=1S/C18H19ClN4O4/c1-18(2,3)23-17(24)15(19)13(9-20-23)26-10-14-21-22-16(27-14)11-5-7-12(25-4)8-6-11/h5-9H,10H2,1-4H3
InChIKeyCLQTZZSTBMDXBZ-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.29
Rot. Bonds5

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

2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one (PubChem CID 10927271) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
PubChem CID10927271
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Name2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
SMILESCOc1ccc(-c2nnc(COc3cnn(C(C)(C)C)c(=O)c3Cl)o2)cc1
InChIInChI=1S/C18H19ClN4O4/c1-18(2,3)23-17(24)15(19)13(9-20-23)26-10-14-21-22-16(27-14)11-5-7-12(25-4)8-6-11/h5-9H,10H2,1-4H3
InChIKeyCLQTZZSTBMDXBZ-UHFFFAOYSA-N
XLogP3.29
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one (CID 10927271) is 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one is COc1ccc(-c2nnc(COc3cnn(C(C)(C)C)c(=O)c3Cl)o2)cc1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one?
The InChIKey is CLQTZZSTBMDXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c1-18(2,3)23-17(24)15(19)13(9-20-23)26-10-14-21-22-16(27-14)11-5-7-12(25-4)8-6-11/h5-9H,10H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one has a molecular weight of 390.83 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one is sourced from PubChem (CID 10927271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).