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

C13H21N3O3 — CID 80690241

IUPAC4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCC1(c2noc(C3(C)COCC3N)n2)CCCCO1
InChIInChI=1S/C13H21N3O3/c1-12(8-17-7-9(12)14)11-15-10(16-19-11)13(2)5-3-4-6-18-13/h9H,3-8,14H2,1-2H3
InChIKeyAHKAGFJMWAZXMO-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.10
Rot. Bonds2

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

4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 80690241) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID80690241
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCC1(c2noc(C3(C)COCC3N)n2)CCCCO1
InChIInChI=1S/C13H21N3O3/c1-12(8-17-7-9(12)14)11-15-10(16-19-11)13(2)5-3-4-6-18-13/h9H,3-8,14H2,1-2H3
InChIKeyAHKAGFJMWAZXMO-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 80690241) is 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CC1(c2noc(C3(C)COCC3N)n2)CCCCO1.
What is the InChIKey of 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is AHKAGFJMWAZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-12(8-17-7-9(12)14)11-15-10(16-19-11)13(2)5-3-4-6-18-13/h9H,3-8,14H2,1-2H3.
What are the key properties of 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 267.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 80690241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).