(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide

C18H15F2N3O3 — CID 39868138

IUPAC(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15F2N3O3/c1-2-15(25-14-9-7-13(20)8-10-14)16(24)21-18-22-17(26-23-18)11-3-5-12(19)6-4-11/h3-10,15H,2H2,1H3,(H,21,23,24)/t15-/m0/s1
InChIKeyBOHUDWFOPCDLGN-HNNXBMFYSA-N
MW359.33 g/mol
LogP3.81
Rot. Bonds6

About (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide

(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide (PubChem CID 39868138) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide
PubChem CID39868138
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15F2N3O3/c1-2-15(25-14-9-7-13(20)8-10-14)16(24)21-18-22-17(26-23-18)11-3-5-12(19)6-4-11/h3-10,15H,2H2,1H3,(H,21,23,24)/t15-/m0/s1
InChIKeyBOHUDWFOPCDLGN-HNNXBMFYSA-N
XLogP3.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide (CID 39868138) is (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide?
The InChIKey is BOHUDWFOPCDLGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-2-15(25-14-9-7-13(20)8-10-14)16(24)21-18-22-17(26-23-18)11-3-5-12(19)6-4-11/h3-10,15H,2H2,1H3,(H,21,23,24)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide?
(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide has a molecular weight of 359.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 39868138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).