5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid

C8H9N3O3 — CID 112631944

IUPAC5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNC1C=CC(c2nc(C(=O)O)no2)C1
InChIInChI=1S/C8H9N3O3/c9-5-2-1-4(3-5)7-10-6(8(12)13)11-14-7/h1-2,4-5H,3,9H2,(H,12,13)
InChIKeyWLMQCMXFIPCIGD-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.14
Rot. Bonds2

About 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631944) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631944
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNC1C=CC(c2nc(C(=O)O)no2)C1
InChIInChI=1S/C8H9N3O3/c9-5-2-1-4(3-5)7-10-6(8(12)13)11-14-7/h1-2,4-5H,3,9H2,(H,12,13)
InChIKeyWLMQCMXFIPCIGD-UHFFFAOYSA-N
XLogP0.14
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 79215930
4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 80601371
4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216157
4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216665
5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165484650
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216671
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216876
5-(1,1-dioxothian-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115045802
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908
5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631855
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 107923431
5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631759

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 112631944) is 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid is NC1C=CC(c2nc(C(=O)O)no2)C1.
What is the InChIKey of 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is WLMQCMXFIPCIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-5-2-1-4(3-5)7-10-6(8(12)13)11-14-7/h1-2,4-5H,3,9H2,(H,12,13).
What are the key properties of 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).