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

C13H21N3O3 — CID 106474609

IUPAC3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCC1(c2noc(C3COCCC3N)n2)CCCCO1
InChIInChI=1S/C13H21N3O3/c1-13(5-2-3-6-18-13)12-15-11(19-16-12)9-8-17-7-4-10(9)14/h9-10H,2-8,14H2,1H3
InChIKeyUEUJTJZXYHMKSK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.32
Rot. Bonds2

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

3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 106474609) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID106474609
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCC1(c2noc(C3COCCC3N)n2)CCCCO1
InChIInChI=1S/C13H21N3O3/c1-13(5-2-3-6-18-13)12-15-11(19-16-12)9-8-17-7-4-10(9)14/h9-10H,2-8,14H2,1H3
InChIKeyUEUJTJZXYHMKSK-UHFFFAOYSA-N
XLogP1.32
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474174
N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474581
N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80681119
3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 80690383
4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 80690241
(1S,6R)-6-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 104963087
4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192469
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680
[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440197
1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80681737
(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565487
3-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80690086

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 106474609) is 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is CC1(c2noc(C3COCCC3N)n2)CCCCO1.
What is the InChIKey of 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is UEUJTJZXYHMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(5-2-3-6-18-13)12-15-11(19-16-12)9-8-17-7-4-10(9)14/h9-10H,2-8,14H2,1H3.
What are the key properties of 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 267.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 106474609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).