3-(pentoxymethyl)-1,2,5-oxadiazole

C8H14N2O2 — CID 173195197

IUPAC3-(pentoxymethyl)-1,2,5-oxadiazole
SMILESCCCCCOCc1cnon1
InChIInChI=1S/C8H14N2O2/c1-2-3-4-5-11-7-8-6-9-12-10-8/h6H,2-5,7H2,1H3
InChIKeyVIXIIKGSKHIPGE-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.78
Rot. Bonds6

About 3-(pentoxymethyl)-1,2,5-oxadiazole

3-(pentoxymethyl)-1,2,5-oxadiazole (PubChem CID 173195197) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(pentoxymethyl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(pentoxymethyl)-1,2,5-oxadiazole
PubChem CID173195197
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(pentoxymethyl)-1,2,5-oxadiazole
SMILESCCCCCOCc1cnon1
InChIInChI=1S/C8H14N2O2/c1-2-3-4-5-11-7-8-6-9-12-10-8/h6H,2-5,7H2,1H3
InChIKeyVIXIIKGSKHIPGE-UHFFFAOYSA-N
XLogP1.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(hexoxymethyl)-N-methylpyrazin-2-amine
CID 103058547
3-methyl-5-(octoxymethyl)-1,2-oxazole
CID 13460560
2-chloro-5-(hexoxymethyl)-1,3-thiazole
CID 79765509
2-(butoxymethyl)pyrazine
CID 54527818
[4-(heptoxymethyl)phenyl]-trimethylsilane
CID 103438642
2-(dodecoxymethyl)quinoline
CID 14754989
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
4-(dodecoxymethyl)pyridine
CID 175554630
6-(pentoxymethyl)-N-propylpyridin-2-amine
CID 79238780
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 3-(pentoxymethyl)-1,2,5-oxadiazole?
The IUPAC name of 3-(pentoxymethyl)-1,2,5-oxadiazole (CID 173195197) is 3-(pentoxymethyl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-(pentoxymethyl)-1,2,5-oxadiazole?
The canonical SMILES for 3-(pentoxymethyl)-1,2,5-oxadiazole is CCCCCOCc1cnon1.
What is the InChIKey of 3-(pentoxymethyl)-1,2,5-oxadiazole?
The InChIKey is VIXIIKGSKHIPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-3-4-5-11-7-8-6-9-12-10-8/h6H,2-5,7H2,1H3.
What are the key properties of 3-(pentoxymethyl)-1,2,5-oxadiazole?
3-(pentoxymethyl)-1,2,5-oxadiazole has a molecular weight of 170.21 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentoxymethyl)-1,2,5-oxadiazole is sourced from PubChem (CID 173195197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).