(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide

C19H18FN3O3 — CID 8528203

IUPAC(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3/c1-12(14-3-7-16(20)8-4-14)22-18(24)13(2)26-17-9-5-15(6-10-17)19-23-21-11-25-19/h3-13H,1-2H3,(H,22,24)/t12-,13-/m0/s1
InChIKeyCAGUZUHGGITXQV-STQMWFEESA-N
MW355.37 g/mol
LogP3.52
Rot. Bonds6

About (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide

(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (PubChem CID 8528203) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
PubChem CID8528203
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3/c1-12(14-3-7-16(20)8-4-14)22-18(24)13(2)26-17-9-5-15(6-10-17)19-23-21-11-25-19/h3-13H,1-2H3,(H,22,24)/t12-,13-/m0/s1
InChIKeyCAGUZUHGGITXQV-STQMWFEESA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide with MolForge

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 92538260
(2S)-N-cyclopropyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528191
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 7556105
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8580031
N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206403
(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 8528155
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851790
N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17409257
(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 40693368
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (CID 8528203) is (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The InChIKey is CAGUZUHGGITXQV-STQMWFEESA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12(14-3-7-16(20)8-4-14)22-18(24)13(2)26-17-9-5-15(6-10-17)19-23-21-11-25-19/h3-13H,1-2H3,(H,22,24)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide has a molecular weight of 355.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is sourced from PubChem (CID 8528203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).