3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

C11H9FN2O3 — CID 7130711

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyBUMRHSFCLPSTJE-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.89
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 7130711) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID7130711
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyBUMRHSFCLPSTJE-UHFFFAOYSA-N
XLogP1.89
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propionic acid
CID 665968
Phenylmethyloxadiazole
CID 98806
3-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 667176
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 667252
3-Phenyl-1,2,4-oxadiazole-5-acetic acid
CID 7017713
3-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 13306119
3-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 666122
3-(4-Nitrophenyl)-1,2,4-oxadiazole-5-propanoic acid
CID 737284
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 665520
3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 3159247
3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 3293456

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 7130711) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is O=C(O)CCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is BUMRHSFCLPSTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 236.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 7130711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).