4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid

C10H16N2O3 — CID 29078213

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCC(C)(C)c1noc(CCCC(=O)O)n1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)9-11-7(15-12-9)5-4-6-8(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyRRKFXXQFHATUMO-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.77
Rot. Bonds4

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid (PubChem CID 29078213) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid
PubChem CID29078213
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCC(C)(C)c1noc(CCCC(=O)O)n1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)9-11-7(15-12-9)5-4-6-8(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyRRKFXXQFHATUMO-UHFFFAOYSA-N
XLogP1.77
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.77
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-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
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)butanoic acid
CID 67322860
4-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 61392851
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
3,3-Dimethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 79954404
4-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 79954405
3-Methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 79954882
3-Methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 82007886

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid (CID 29078213) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid is CC(C)(C)c1noc(CCCC(=O)O)n1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The InChIKey is RRKFXXQFHATUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)9-11-7(15-12-9)5-4-6-8(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid is sourced from PubChem (CID 29078213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).