5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one

C16H15ClFN5O2 — CID 169128899

IUPAC5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
SMILESCc1c(N)cnn(Cc2nc(C(F)Cc3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C16H15ClFN5O2/c1-9-13(19)7-20-23(16(9)24)8-14-21-15(22-25-14)12(18)6-10-2-4-11(17)5-3-10/h2-5,7,12H,6,8,19H2,1H3
InChIKeyGIROVIABDGLUQU-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.47
Rot. Bonds5

About 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one

5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one (PubChem CID 169128899) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
PubChem CID169128899
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
SMILESCc1c(N)cnn(Cc2nc(C(F)Cc3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C16H15ClFN5O2/c1-9-13(19)7-20-23(16(9)24)8-14-21-15(22-25-14)12(18)6-10-2-4-11(17)5-3-10/h2-5,7,12H,6,8,19H2,1H3
InChIKeyGIROVIABDGLUQU-UHFFFAOYSA-N
XLogP2.47
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one?
The IUPAC name of 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one (CID 169128899) is 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one?
The canonical SMILES for 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one is Cc1c(N)cnn(Cc2nc(C(F)Cc3ccc(Cl)cc3)no2)c1=O.
What is the InChIKey of 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one?
The InChIKey is GIROVIABDGLUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-9-13(19)7-20-23(16(9)24)8-14-21-15(22-25-14)12(18)6-10-2-4-11(17)5-3-10/h2-5,7,12H,6,8,19H2,1H3.
What are the key properties of 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one?
5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one has a molecular weight of 363.78 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[3-[2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one is sourced from PubChem (CID 169128899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).