3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one

C18H9ClF2N4O2 — CID 53135324

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C18H9ClF2N4O2/c19-12-4-2-1-3-11(12)17-22-18(27-24-17)16-15(26)7-8-25(23-16)10-5-6-13(20)14(21)9-10/h1-9H
InChIKeyXQRXXBGWDGMTKN-UHFFFAOYSA-N
MW386.75 g/mol
LogP3.88
Rot. Bonds3

About 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one (PubChem CID 53135324) has the molecular formula C18H9ClF2N4O2 and a molecular weight of 386.75 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one
PubChem CID53135324
Molecular FormulaC18H9ClF2N4O2
Molecular Weight386.75 g/mol
Exact Mass386.04
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C18H9ClF2N4O2/c19-12-4-2-1-3-11(12)17-22-18(27-24-17)16-15(26)7-8-25(23-16)10-5-6-13(20)14(21)9-10/h1-9H
InChIKeyXQRXXBGWDGMTKN-UHFFFAOYSA-N
XLogP3.88
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one
CID 53135329
1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135273
3-(2-chlorophenyl)-5-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole
CID 8721420
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one
CID 50840730
1-(3-fluorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50840776
1-(3,4-difluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 51042763
3-chloro-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62100293
1-(3-bromophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135345
3-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2183774
1-(3-bromophenyl)-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135346
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 110323952
1-(4-methoxyphenyl)-3-[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50841022

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one (CID 53135324) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one is O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one?
The InChIKey is XQRXXBGWDGMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF2N4O2/c19-12-4-2-1-3-11(12)17-22-18(27-24-17)16-15(26)7-8-25(23-16)10-5-6-13(20)14(21)9-10/h1-9H.
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one has a molecular weight of 386.75 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one is sourced from PubChem (CID 53135324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).