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

C18H16FN3O3 — CID 8851790

IUPAC(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)cc1F
InChIInChI=1S/C18H16FN3O3/c1-11-3-6-14(9-16(11)19)21-17(23)12(2)25-15-7-4-13(5-8-15)18-22-20-10-24-18/h3-10,12H,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyOFYXKXLGELVKPB-LBPRGKRZSA-N
MW341.34 g/mol
LogP3.59
Rot. Bonds5

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

(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (PubChem CID 8851790) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
PubChem CID8851790
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)cc1F
InChIInChI=1S/C18H16FN3O3/c1-11-3-6-14(9-16(11)19)21-17(23)12(2)25-15-7-4-13(5-8-15)18-22-20-10-24-18/h3-10,12H,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyOFYXKXLGELVKPB-LBPRGKRZSA-N
XLogP3.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908176
N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555932
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 7556105
(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 7908187
(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7556052
N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 42903748
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18208718
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (CID 8851790) is (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)cc1F.
What is the InChIKey of (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The InChIKey is OFYXKXLGELVKPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-3-6-14(9-16(11)19)21-17(23)12(2)25-15-7-4-13(5-8-15)18-22-20-10-24-18/h3-10,12H,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide has a molecular weight of 341.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is sourced from PubChem (CID 8851790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).