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

C12H21N3O3 — CID 116740558

IUPAC4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCOC(C)(CC)c1noc(C2COCC2N)n1
InChIInChI=1S/C12H21N3O3/c1-4-12(3,17-5-2)11-14-10(18-15-11)8-6-16-7-9(8)13/h8-9H,4-7,13H2,1-3H3
InChIKeyBSCGAKZDDXNIAA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.17
Rot. Bonds5

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

4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 116740558) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID116740558
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCOC(C)(CC)c1noc(C2COCC2N)n1
InChIInChI=1S/C12H21N3O3/c1-4-12(3,17-5-2)11-14-10(18-15-11)8-6-16-7-9(8)13/h8-9H,4-7,13H2,1-3H3
InChIKeyBSCGAKZDDXNIAA-UHFFFAOYSA-N
XLogP1.17
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 114211243
3-(2-ethoxybutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116740578
4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66240879
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116701893
5-(azepan-2-yl)-3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazole
CID 116740654
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778204
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116740641
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115345329
N-propyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82007546
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238890

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 116740558) is 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCOC(C)(CC)c1noc(C2COCC2N)n1.
What is the InChIKey of 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is BSCGAKZDDXNIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-12(3,17-5-2)11-14-10(18-15-11)8-6-16-7-9(8)13/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 255.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 116740558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).