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

C12H11FN2O3 — CID 82020847

IUPAC3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCc1nnc(C(Cc2ccc(F)cc2)C(=O)O)o1
InChIInChI=1S/C12H11FN2O3/c1-7-14-15-11(18-7)10(12(16)17)6-8-2-4-9(13)5-3-8/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyXZONVFSMNAGPQJ-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.93
Rot. Bonds4

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

3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (PubChem CID 82020847) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
PubChem CID82020847
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCc1nnc(C(Cc2ccc(F)cc2)C(=O)O)o1
InChIInChI=1S/C12H11FN2O3/c1-7-14-15-11(18-7)10(12(16)17)6-8-2-4-9(13)5-3-8/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyXZONVFSMNAGPQJ-UHFFFAOYSA-N
XLogP1.93
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020848
2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
CID 82020844
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 82020875
3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
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(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 83955681
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide
CID 110307382
3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104572997

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (CID 82020847) is 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is Cc1nnc(C(Cc2ccc(F)cc2)C(=O)O)o1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The InChIKey is XZONVFSMNAGPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-7-14-15-11(18-7)10(12(16)17)6-8-2-4-9(13)5-3-8/h2-5,10H,6H2,1H3,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is sourced from PubChem (CID 82020847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).