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

C7H11N3O2 — CID 61324587

IUPAC[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(C2CCOC2)n1
InChIInChI=1S/C7H11N3O2/c8-3-6-9-7(12-10-6)5-1-2-11-4-5/h5H,1-4,8H2
InChIKeyIXQGHAZLIVYRPS-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.03
Rot. Bonds2

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

[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61324587) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61324587
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(C2CCOC2)n1
InChIInChI=1S/C7H11N3O2/c8-3-6-9-7(12-10-6)5-1-2-11-4-5/h5H,1-4,8H2
InChIKeyIXQGHAZLIVYRPS-UHFFFAOYSA-N
XLogP0.03
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 55175292
1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63015287
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62905897
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 154779107
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834

Frequently Asked Questions

What is the IUPAC name of [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61324587) is [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(C2CCOC2)n1.
What is the InChIKey of [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is IXQGHAZLIVYRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-3-6-9-7(12-10-6)5-1-2-11-4-5/h5H,1-4,8H2.
What are the key properties of [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 169.18 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61324587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).