(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one

C18H14F2N2O4 — CID 8528155

IUPAC(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N2O4/c1-11(16(23)12-2-6-15(7-3-12)26-18(19)20)25-14-8-4-13(5-9-14)17-22-21-10-24-17/h2-11,18H,1H3/t11-/m1/s1
InChIKeyTYLYRCMBXZGPIQ-LLVKDONJSA-N
MW360.32 g/mol
LogP3.99
Rot. Bonds7

About (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one

(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one (PubChem CID 8528155) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
PubChem CID8528155
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC Name(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N2O4/c1-11(16(23)12-2-6-15(7-3-12)26-18(19)20)25-14-8-4-13(5-9-14)17-22-21-10-24-17/h2-11,18H,1H3/t11-/m1/s1
InChIKeyTYLYRCMBXZGPIQ-LLVKDONJSA-N
XLogP3.99
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one 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

(2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 8528170
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908205
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528203
(2S)-N-cyclopropyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528191
(2R)-1-(azepan-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 40844528
(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 40693368
N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17409257
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 7556105
4-(1,3,4-oxadiazol-2-yl)benzamide
CID 43236825
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851790
(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 7908187

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one?
The IUPAC name of (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one (CID 8528155) is (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one.
What is the SMILES notation for (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one?
The canonical SMILES for (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one is C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one?
The InChIKey is TYLYRCMBXZGPIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c1-11(16(23)12-2-6-15(7-3-12)26-18(19)20)25-14-8-4-13(5-9-14)17-22-21-10-24-17/h2-11,18H,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one?
(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one has a molecular weight of 360.32 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one is sourced from PubChem (CID 8528155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).