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

C10H17N3O2 — CID 43171872

IUPAC1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-7(11)5-10-12-9(13-15-10)6-8-3-2-4-14-8/h7-8H,2-6,11H2,1H3
InChIKeyUNDKECGTZKRNGK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.68
Rot. Bonds4

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

1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 43171872) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID43171872
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-7(11)5-10-12-9(13-15-10)6-8-3-2-4-14-8/h7-8H,2-6,11H2,1H3
InChIKeyUNDKECGTZKRNGK-UHFFFAOYSA-N
XLogP0.68
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 43171872) is 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)Cc1nc(CC2CCCO2)no1.
What is the InChIKey of 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is UNDKECGTZKRNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(11)5-10-12-9(13-15-10)6-8-3-2-4-14-8/h7-8H,2-6,11H2,1H3.
What are the key properties of 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 211.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 43171872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).