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

C11H19N3O2 — CID 60837094

IUPACN-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CC2CCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-8(2)12-7-11-13-10(14-16-11)6-9-4-3-5-15-9/h8-9,12H,3-7H2,1-2H3
InChIKeyWWVCWHGCZSYFOR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.29
Rot. Bonds5

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

N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (PubChem CID 60837094) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
PubChem CID60837094
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CC2CCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-8(2)12-7-11-13-10(14-16-11)6-9-4-3-5-15-9/h8-9,12H,3-7H2,1-2H3
InChIKeyWWVCWHGCZSYFOR-UHFFFAOYSA-N
XLogP1.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (CID 60837094) is N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nc(CC2CCCO2)no1.
What is the InChIKey of N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The InChIKey is WWVCWHGCZSYFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)12-7-11-13-10(14-16-11)6-9-4-3-5-15-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 60837094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).