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

C13H12N2O3 — CID 61339415

IUPAC4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2noc(C3CCC3)n2)cc1
InChIInChI=1S/C13H12N2O3/c16-13(17)10-6-4-8(5-7-10)11-14-12(18-15-11)9-2-1-3-9/h4-7,9H,1-3H2,(H,16,17)
InChIKeyHSZFMLAJYFXFPJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.70
Rot. Bonds3

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

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid (PubChem CID 61339415) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
PubChem CID61339415
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2noc(C3CCC3)n2)cc1
InChIInChI=1S/C13H12N2O3/c16-13(17)10-6-4-8(5-7-10)11-14-12(18-15-11)9-2-1-3-9/h4-7,9H,1-3H2,(H,16,17)
InChIKeyHSZFMLAJYFXFPJ-UHFFFAOYSA-N
XLogP2.70
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2781838
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 67253358
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46321383
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 154385499
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 155012998
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 53033594
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 3953724
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 3294167

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid (CID 61339415) is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The canonical SMILES for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid is O=C(O)c1ccc(-c2noc(C3CCC3)n2)cc1.
What is the InChIKey of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The InChIKey is HSZFMLAJYFXFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13(17)10-6-4-8(5-7-10)11-14-12(18-15-11)9-2-1-3-9/h4-7,9H,1-3H2,(H,16,17).
What are the key properties of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid?
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid is sourced from PubChem (CID 61339415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).