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

C12H19N3O3 — CID 113391148

IUPAC4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(CC2CCCCO2)no1
InChIInChI=1S/C12H19N3O3/c13-10-7-16-6-9(10)12-14-11(15-18-12)5-8-3-1-2-4-17-8/h8-10H,1-7,13H2
InChIKeySAEYZPAHLVJHJE-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.62
Rot. Bonds3

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

4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 113391148) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID113391148
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(CC2CCCCO2)no1
InChIInChI=1S/C12H19N3O3/c13-10-7-16-6-9(10)12-14-11(15-18-12)5-8-3-1-2-4-17-8/h8-10H,1-7,13H2
InChIKeySAEYZPAHLVJHJE-UHFFFAOYSA-N
XLogP0.62
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474214
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103985680
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66240879
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 113391173
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115345329
4-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 114211243
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238890
N-methyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63347343
3-(oxolan-2-ylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832525
1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 113391171
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240495

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 113391148) is 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1COCC1c1nc(CC2CCCCO2)no1.
What is the InChIKey of 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is SAEYZPAHLVJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-10-7-16-6-9(10)12-14-11(15-18-12)5-8-3-1-2-4-17-8/h8-10H,1-7,13H2.
What are the key properties of 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 253.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 113391148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).