5-butoxyoxadiazole

C6H10N2O2 — CID 173150987

IUPAC5-butoxyoxadiazole
SMILESCCCCOc1cnno1
InChIInChI=1S/C6H10N2O2/c1-2-3-4-9-6-5-7-8-10-6/h5H,2-4H2,1H3
InChIKeyXNJVASVRFZPDAW-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.25
Rot. Bonds4

About 5-butoxyoxadiazole

5-butoxyoxadiazole (PubChem CID 173150987) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-butoxyoxadiazole.

Molecular Properties

Compound Name5-butoxyoxadiazole
PubChem CID173150987
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name5-butoxyoxadiazole
SMILESCCCCOc1cnno1
InChIInChI=1S/C6H10N2O2/c1-2-3-4-9-6-5-7-8-10-6/h5H,2-4H2,1H3
InChIKeyXNJVASVRFZPDAW-UHFFFAOYSA-N
XLogP1.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.25
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

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-butoxy-1H-imidazol-5-amine
CID 155046336
1,3,5-tributoxybenzene
CID 15933337
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
5-butoxy-2-methylpyridine
CID 13154052
4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile
CID 67285460
dibutoxy-methyl-octylsilane
CID 54173263
(4-butoxyphenyl)-dichloro-hexylsilane
CID 139899604
5-butoxy-3-chloro-1,2,4-triazine
CID 114998193
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417

Frequently Asked Questions

What is the IUPAC name of 5-butoxyoxadiazole?
The IUPAC name of 5-butoxyoxadiazole (CID 173150987) is 5-butoxyoxadiazole.
What is the SMILES notation for 5-butoxyoxadiazole?
The canonical SMILES for 5-butoxyoxadiazole is CCCCOc1cnno1.
What is the InChIKey of 5-butoxyoxadiazole?
The InChIKey is XNJVASVRFZPDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-3-4-9-6-5-7-8-10-6/h5H,2-4H2,1H3.
What are the key properties of 5-butoxyoxadiazole?
5-butoxyoxadiazole has a molecular weight of 142.16 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxyoxadiazole is sourced from PubChem (CID 173150987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).