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

C9H12N2O3 — CID 64982441

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(C2CCC2)no1
InChIInChI=1S/C9H12N2O3/c12-8(13)5-4-7-10-9(11-14-7)6-2-1-3-6/h6H,1-5H2,(H,12,13)
InChIKeyORWLLMNDETUFSQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.35
Rot. Bonds4

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

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid (PubChem CID 64982441) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
PubChem CID64982441
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(C2CCC2)no1
InChIInChI=1S/C9H12N2O3/c12-8(13)5-4-7-10-9(11-14-7)6-2-1-3-6/h6H,1-5H2,(H,12,13)
InChIKeyORWLLMNDETUFSQ-UHFFFAOYSA-N
XLogP1.35
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
3-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 114215288
3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081859
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65406908
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65409407
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
CID 167988619
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65333430
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid (CID 64982441) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid is O=C(O)CCc1nc(C2CCC2)no1.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The InChIKey is ORWLLMNDETUFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8(13)5-4-7-10-9(11-14-7)6-2-1-3-6/h6H,1-5H2,(H,12,13).
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid is sourced from PubChem (CID 64982441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).