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

C10H17N3O2 — CID 79763177

IUPAC3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC1OCCC1c1nc(CCCN)no1
InChIInChI=1S/C10H17N3O2/c1-7-8(4-6-14-7)10-12-9(13-15-10)3-2-5-11/h7-8H,2-6,11H2,1H3
InChIKeyXZELBCKUZBAQSZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds4

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

3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 79763177) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID79763177
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC1OCCC1c1nc(CCCN)no1
InChIInChI=1S/C10H17N3O2/c1-7-8(4-6-14-7)10-12-9(13-15-10)3-2-5-11/h7-8H,2-6,11H2,1H3
InChIKeyXZELBCKUZBAQSZ-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 79763177) is 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC1OCCC1c1nc(CCCN)no1.
What is the InChIKey of 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XZELBCKUZBAQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-8(4-6-14-7)10-12-9(13-15-10)3-2-5-11/h7-8H,2-6,11H2,1H3.
What are the key properties of 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 211.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 79763177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).