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

C11H19N3O2 — CID 115078600

IUPAC1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(CC2CCCOC2)n1
InChIInChI=1S/C11H19N3O2/c1-8(12)5-10-13-11(16-14-10)6-9-3-2-4-15-7-9/h8-9H,2-7,12H2,1H3
InChIKeyBGJPUBRNRIXBQD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.93
Rot. Bonds4

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

1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 115078600) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID115078600
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(CC2CCCOC2)n1
InChIInChI=1S/C11H19N3O2/c1-8(12)5-10-13-11(16-14-10)6-9-3-2-4-15-7-9/h8-9H,2-7,12H2,1H3
InChIKeyBGJPUBRNRIXBQD-UHFFFAOYSA-N
XLogP0.93
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
1-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077562
1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63015287
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
1-[5-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077377
5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103985689
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
1-(oxan-3-yl)propan-2-amine
CID 63737520
3-methyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526632
(1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904297
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 115078600) is 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(CC2CCCOC2)n1.
What is the InChIKey of 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is BGJPUBRNRIXBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(12)5-10-13-11(16-14-10)6-9-3-2-4-15-7-9/h8-9H,2-7,12H2,1H3.
What are the key properties of 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 115078600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).