4-[4-(diazonan-1-yl)cyclononyl]oxadiazole

C18H32N4O — CID 67017112

IUPAC4-[4-(diazonan-1-yl)cyclononyl]oxadiazole
SMILESc1onnc1C1CCCCCC(N2CCCCCCCN2)CC1
InChIInChI=1S/C18H32N4O/c1-2-7-13-19-22(14-8-3-1)17-10-6-4-5-9-16(11-12-17)18-15-23-21-20-18/h15-17,19H,1-14H2
InChIKeyFZLFOTWAUPXCGQ-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.04
Rot. Bonds2

About 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole

4-[4-(diazonan-1-yl)cyclononyl]oxadiazole (PubChem CID 67017112) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole.

Molecular Properties

Compound Name4-[4-(diazonan-1-yl)cyclononyl]oxadiazole
PubChem CID67017112
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name4-[4-(diazonan-1-yl)cyclononyl]oxadiazole
SMILESc1onnc1C1CCCCCC(N2CCCCCCCN2)CC1
InChIInChI=1S/C18H32N4O/c1-2-7-13-19-22(14-8-3-1)17-10-6-4-5-9-16(11-12-17)18-15-23-21-20-18/h15-17,19H,1-14H2
InChIKeyFZLFOTWAUPXCGQ-UHFFFAOYSA-N
XLogP4.04
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole?
The IUPAC name of 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole (CID 67017112) is 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole.
What is the SMILES notation for 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole?
The canonical SMILES for 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole is c1onnc1C1CCCCCC(N2CCCCCCCN2)CC1.
What is the InChIKey of 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole?
The InChIKey is FZLFOTWAUPXCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-2-7-13-19-22(14-8-3-1)17-10-6-4-5-9-16(11-12-17)18-15-23-21-20-18/h15-17,19H,1-14H2.
What are the key properties of 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole?
4-[4-(diazonan-1-yl)cyclononyl]oxadiazole has a molecular weight of 320.48 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diazonan-1-yl)cyclononyl]oxadiazole is sourced from PubChem (CID 67017112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).