[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate

C18H14F2N2O4 — CID 25468617

IUPAC[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)OCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H14F2N2O4/c1-11(25-15-8-6-14(20)7-9-15)18(23)24-10-16-21-22-17(26-16)12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyOUDROSGWQCCEFN-LLVKDONJSA-N
MW360.32 g/mol
LogP3.53
Rot. Bonds6

About [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate

[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate (PubChem CID 25468617) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
PubChem CID25468617
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC Name[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)OCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H14F2N2O4/c1-11(25-15-8-6-14(20)7-9-15)18(23)24-10-16-21-22-17(26-16)12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyOUDROSGWQCCEFN-LLVKDONJSA-N
XLogP3.53
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate
CID 46519545
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylpropanoate
CID 166234380
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977889
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 7193284
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-phenylsulfanylpropanoate
CID 78546049
(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 8559387
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 166183592
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7984266
4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 61032229
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866171
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7194175
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66103847

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate?
The IUPAC name of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate (CID 25468617) is [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate is C[C@@H](Oc1ccc(F)cc1)C(=O)OCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate?
The InChIKey is OUDROSGWQCCEFN-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c1-11(25-15-8-6-14(20)7-9-15)18(23)24-10-16-21-22-17(26-16)12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3/t11-/m1/s1.
What are the key properties of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate?
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate has a molecular weight of 360.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate is sourced from PubChem (CID 25468617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).