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

C17H13F2N3O3 — CID 39868107

IUPAC(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13F2N3O3/c1-10(24-14-5-3-2-4-13(14)19)15(23)20-17-21-16(25-22-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,20,22,23)/t10-/m1/s1
InChIKeyWAAOWFZXHCFFKD-SNVBAGLBSA-N
MW345.31 g/mol
LogP3.42
Rot. Bonds5

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

(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide (PubChem CID 39868107) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
PubChem CID39868107
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13F2N3O3/c1-10(24-14-5-3-2-4-13(14)19)15(23)20-17-21-16(25-22-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,20,22,23)/t10-/m1/s1
InChIKeyWAAOWFZXHCFFKD-SNVBAGLBSA-N
XLogP3.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50754153
2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 46299621
(2S)-2-(2-fluorophenoxy)-N-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)propanamide
CID 39867773
2-(4-fluorophenoxy)-N-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 50752042
(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866682
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
CID 35042818
(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide
CID 39868138
(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39867025
(2R)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42278337
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
2-(2-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014047
(2S)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-fluorophenoxy)propanamide
CID 40965372

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide (CID 39868107) is (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide is C[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The InChIKey is WAAOWFZXHCFFKD-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-10(24-14-5-3-2-4-13(14)19)15(23)20-17-21-16(25-22-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,20,22,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide?
(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide has a molecular weight of 345.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 39868107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).