4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine

C12H17N3O2 — CID 79216157

IUPAC4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C12H17N3O2/c13-10-2-1-9(7-10)12-14-11(15-17-12)8-3-5-16-6-4-8/h1-2,8-10H,3-7,13H2
InChIKeySXSPXQGYJACNTJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.33
Rot. Bonds2

About 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine

4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (PubChem CID 79216157) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
PubChem CID79216157
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C12H17N3O2/c13-10-2-1-9(7-10)12-14-11(15-17-12)8-3-5-16-6-4-8/h1-2,8-10H,3-7,13H2
InChIKeySXSPXQGYJACNTJ-UHFFFAOYSA-N
XLogP1.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
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-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79192547
5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631944
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216671
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240495
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65334735
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200899

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (CID 79216157) is 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is NC1C=CC(c2nc(C3CCOCC3)no2)C1.
What is the InChIKey of 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The InChIKey is SXSPXQGYJACNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10-2-1-9(7-10)12-14-11(15-17-12)8-3-5-16-6-4-8/h1-2,8-10H,3-7,13H2.
What are the key properties of 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine has a molecular weight of 235.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79216157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).