[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate

C19H16ClFN2O4 — CID 8616478

IUPAC[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)O[C@H](C)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H16ClFN2O4/c1-11(18-22-23-19(27-18)12-3-6-15(21)7-4-12)26-17(24)10-13-9-14(20)5-8-16(13)25-2/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyVTETXBXSMRQJGH-LLVKDONJSA-N
MW390.80 g/mol
LogP4.38
Rot. Bonds6

About [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8616478) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8616478
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Name[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)O[C@H](C)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H16ClFN2O4/c1-11(18-22-23-19(27-18)12-3-6-15(21)7-4-12)26-17(24)10-13-9-14(20)5-8-16(13)25-2/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyVTETXBXSMRQJGH-LLVKDONJSA-N
XLogP4.38
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate with MolForge

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Related Compounds

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616510
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2,4-dichlorophenyl)acetate
CID 46824122
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 9201074
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230887
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 55389896
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chlorophenoxy)acetate
CID 9229442
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604545
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chlorobenzoate
CID 9412590
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 8601321
1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chlorophenyl)acetate
CID 46824254
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chloro-4-fluorobenzoate
CID 9342995
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578381

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate (CID 8616478) is [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)O[C@H](C)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is VTETXBXSMRQJGH-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-11(18-22-23-19(27-18)12-3-6-15(21)7-4-12)26-17(24)10-13-9-14(20)5-8-16(13)25-2/h3-9,11H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 390.80 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8616478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).