5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

C16H20N4O — CID 167878467

IUPAC5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(N3CC4CCCC(C3)N4)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-5-7-12(8-6-11)15-18-16(21-19-15)20-9-13-3-2-4-14(10-20)17-13/h5-8,13-14,17H,2-4,9-10H2,1H3
InChIKeyPAFLTHDMMQOZET-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.38
Rot. Bonds2

About 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 167878467) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID167878467
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(N3CC4CCCC(C3)N4)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-5-7-12(8-6-11)15-18-16(21-19-15)20-9-13-3-2-4-14(10-20)17-13/h5-8,13-14,17H,2-4,9-10H2,1H3
InChIKeyPAFLTHDMMQOZET-UHFFFAOYSA-N
XLogP2.38
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide
CID 75448602
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CID 133465315
(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 133486075
3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
CID 142694106
4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one
CID 20873192
5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
CID 46342002
5-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 51131875
3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole
CID 133453174
3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43930302
1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one
CID 126837717

Frequently Asked Questions

What is the IUPAC name of 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 167878467) is 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(N3CC4CCCC(C3)N4)n2)cc1.
What is the InChIKey of 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is PAFLTHDMMQOZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-5-7-12(8-6-11)15-18-16(21-19-15)20-9-13-3-2-4-14(10-20)17-13/h5-8,13-14,17H,2-4,9-10H2,1H3.
What are the key properties of 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 284.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167878467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).