(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide

C17H12F3N3O3 — CID 7556105

IUPAC(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H12F3N3O3/c1-9(16(24)22-13-7-6-12(18)14(19)15(13)20)26-11-4-2-10(3-5-11)17-23-21-8-25-17/h2-9H,1H3,(H,22,24)/t9-/m1/s1
InChIKeyLXTBQOGEUKHYHE-SECBINFHSA-N
MW363.30 g/mol
LogP3.56
Rot. Bonds5

About (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7556105) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7556105
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H12F3N3O3/c1-9(16(24)22-13-7-6-12(18)14(19)15(13)20)26-11-4-2-10(3-5-11)17-23-21-8-25-17/h2-9H,1H3,(H,22,24)/t9-/m1/s1
InChIKeyLXTBQOGEUKHYHE-SECBINFHSA-N
XLogP3.56
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851790
(2R)-2-(4-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7503342
methyl 4-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]oxybenzoate
CID 7965434
(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)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908205
(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 7908187
(2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528122
(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7717807
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908176
(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 40693368

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide (CID 7556105) is (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide is C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is LXTBQOGEUKHYHE-SECBINFHSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-9(16(24)22-13-7-6-12(18)14(19)15(13)20)26-11-4-2-10(3-5-11)17-23-21-8-25-17/h2-9H,1H3,(H,22,24)/t9-/m1/s1.
What are the key properties of (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 363.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7556105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).