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

C12H21N3O3 — CID 113435494

IUPAC1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
SMILESCCCOCC(N)c1noc(C2CCOC2C)n1
InChIInChI=1S/C12H21N3O3/c1-3-5-16-7-10(13)11-14-12(18-15-11)9-4-6-17-8(9)2/h8-10H,3-7,13H2,1-2H3
InChIKeyPIRYUBNAXYUWDT-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.39
Rot. Bonds6

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

1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine (PubChem CID 113435494) 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-propoxyethanamine.

Molecular Properties

Compound Name1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
PubChem CID113435494
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
SMILESCCCOCC(N)c1noc(C2CCOC2C)n1
InChIInChI=1S/C12H21N3O3/c1-3-5-16-7-10(13)11-14-12(18-15-11)9-4-6-17-8(9)2/h8-10H,3-7,13H2,1-2H3
InChIKeyPIRYUBNAXYUWDT-UHFFFAOYSA-N
XLogP1.39
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634765
2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634069
3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
CID 103095548
1-[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634466
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 79756111
2-propoxy-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634345
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634440
1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636856
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634387
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520
3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79763177

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The IUPAC name of 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine (CID 113435494) is 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine.
What is the SMILES notation for 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The canonical SMILES for 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine is CCCOCC(N)c1noc(C2CCOC2C)n1.
What is the InChIKey of 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
The InChIKey is PIRYUBNAXYUWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-5-16-7-10(13)11-14-12(18-15-11)9-4-6-17-8(9)2/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine?
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine has a molecular weight of 255.32 g/mol, XLogP of 1.39, 6 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-propoxyethanamine is sourced from PubChem (CID 113435494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).