4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid

C7H7F3N2O3 — CID 67322860

IUPAC4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid
SMILESO=C(O)CCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)6-11-4(12-15-6)2-1-3-5(13)14/h1-3H2,(H,13,14)
InChIKeyDWBASWBBWPTAME-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.50
Rot. Bonds4

About 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid

4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid (PubChem CID 67322860) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid
PubChem CID67322860
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid
SMILESO=C(O)CCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)6-11-4(12-15-6)2-1-3-5(13)14/h1-3H2,(H,13,14)
InChIKeyDWBASWBBWPTAME-UHFFFAOYSA-N
XLogP1.50
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)butanoic acid
CID 28949628
4-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 29078213
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 29078385
4-(3-Propyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43433397
4-(5-(Difluoromethyl)-1,2,4-oxadiazol-3-yl)butanoic acid
CID 67322522
5-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid
CID 135302270
3-Methyl-5-pentyl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 175989950
5-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 61392811
4-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 61392851
3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 61392862
3,3-Dimethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62934903
3-Methyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62942405

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid?
The IUPAC name of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid (CID 67322860) is 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid is O=C(O)CCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid?
The InChIKey is DWBASWBBWPTAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)6-11-4(12-15-6)2-1-3-5(13)14/h1-3H2,(H,13,14).
What are the key properties of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid?
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid has a molecular weight of 224.14 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoic acid is sourced from PubChem (CID 67322860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).