1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

C12H21N3O3 — CID 104634765

IUPAC1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2CCOC2C)n1
InChIInChI=1S/C12H21N3O3/c1-7(2)17-6-10(13)11-14-12(18-15-11)9-4-5-16-8(9)3/h7-10H,4-6,13H2,1-3H3
InChIKeyBLRAQWSTVRHKAT-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.39
Rot. Bonds5

About 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (PubChem CID 104634765) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
PubChem CID104634765
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2CCOC2C)n1
InChIInChI=1S/C12H21N3O3/c1-7(2)17-6-10(13)11-14-12(18-15-11)9-4-5-16-8(9)3/h7-10H,4-6,13H2,1-3H3
InChIKeyBLRAQWSTVRHKAT-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435494
1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634579
1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 113435525
2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634539
3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
CID 103095548
3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79763177
2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634069
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 79756111
1-[5-(1-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634646
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520
1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 113435511
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 103022287

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (CID 104634765) is 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1noc(C2CCOC2C)n1.
What is the InChIKey of 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The InChIKey is BLRAQWSTVRHKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-7(2)17-6-10(13)11-14-12(18-15-11)9-4-5-16-8(9)3/h7-10H,4-6,13H2,1-3H3.
What are the key properties of 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine has a molecular weight of 255.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104634765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).