5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

C16H19FN4O — CID 136570099

IUPAC5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CN3CCCC34CCNC4)n2)cc1
InChIInChI=1S/C16H19FN4O/c17-13-4-2-12(3-5-13)15-19-14(22-20-15)10-21-9-1-6-16(21)7-8-18-11-16/h2-5,18H,1,6-11H2
InChIKeyQBADUJONQHWCFE-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.20
Rot. Bonds3

About 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 136570099) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID136570099
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CN3CCCC34CCNC4)n2)cc1
InChIInChI=1S/C16H19FN4O/c17-13-4-2-12(3-5-13)15-19-14(22-20-15)10-21-9-1-6-16(21)7-8-18-11-16/h2-5,18H,1,6-11H2
InChIKeyQBADUJONQHWCFE-UHFFFAOYSA-N
XLogP2.20
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 136570102
3-(1,3-benzodioxol-5-yl)-5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-1,2,4-oxadiazole
CID 136570104
5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 119933216
4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride
CID 119933371
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
(2S,6R)-4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 26493802
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442013
3-(4-fluorophenyl)-5-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95110579
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263934
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572

Frequently Asked Questions

What is the IUPAC name of 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 136570099) is 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(CN3CCCC34CCNC4)n2)cc1.
What is the InChIKey of 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is QBADUJONQHWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-13-4-2-12(3-5-13)15-19-14(22-20-15)10-21-9-1-6-16(21)7-8-18-11-16/h2-5,18H,1,6-11H2.
What are the key properties of 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 302.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136570099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).