1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C10H15N3O2 — CID 120859662

IUPAC1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(C3CCOC3)n2)CCC1
InChIInChI=1S/C10H15N3O2/c11-10(3-1-4-10)9-12-8(15-13-9)7-2-5-14-6-7/h7H,1-6,11H2
InChIKeyNKNLVDOKZKPJQQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.91
Rot. Bonds2

About 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859662) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859662
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(C3CCOC3)n2)CCC1
InChIInChI=1S/C10H15N3O2/c11-10(3-1-4-10)9-12-8(15-13-9)7-2-5-14-6-7/h7H,1-6,11H2
InChIKeyNKNLVDOKZKPJQQ-UHFFFAOYSA-N
XLogP0.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-[5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860181
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120859549
1-[5-(2-cyclohexylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862372
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride
CID 120861175

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859662) is 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(C3CCOC3)n2)CCC1.
What is the InChIKey of 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is NKNLVDOKZKPJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-10(3-1-4-10)9-12-8(15-13-9)7-2-5-14-6-7/h7H,1-6,11H2.
What are the key properties of 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120859662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).