1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid

C14H13N3O4 — CID 63030571

IUPAC1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(-c3nnco3)cc2)C1
InChIInChI=1S/C14H13N3O4/c18-13(17-6-5-11(7-17)14(19)20)10-3-1-9(2-4-10)12-16-15-8-21-12/h1-4,8,11H,5-7H2,(H,19,20)
InChIKeyHULMDBYOKRLUBF-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.28
Rot. Bonds3

About 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid

1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030571) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID63030571
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(-c3nnco3)cc2)C1
InChIInChI=1S/C14H13N3O4/c18-13(17-6-5-11(7-17)14(19)20)10-3-1-9(2-4-10)12-16-15-8-21-12/h1-4,8,11H,5-7H2,(H,19,20)
InChIKeyHULMDBYOKRLUBF-UHFFFAOYSA-N
XLogP1.28
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 8869673
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 43355554
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid
CID 124697990
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355297
(3R)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124696527
(3S)-1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 124695823
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid (CID 63030571) is 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(-c3nnco3)cc2)C1.
What is the InChIKey of 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HULMDBYOKRLUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(17-6-5-11(7-17)14(19)20)10-3-1-9(2-4-10)12-16-15-8-21-12/h1-4,8,11H,5-7H2,(H,19,20).
What are the key properties of 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid?
1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).