[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

C20H24N4O2 — CID 77093531

IUPAC[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(-c3noc(C4CC4)n3)cc1)C2
InChIInChI=1S/C20H24N4O2/c1-23-10-13-2-9-17(12-23)24(11-13)20(25)16-7-3-14(4-8-16)18-21-19(26-22-18)15-5-6-15/h3-4,7-8,13,15,17H,2,5-6,9-12H2,1H3/t13-,17+/m0/s1
InChIKeyMUTJTMDPBRRTLL-SUMWQHHRSA-N
MW352.44 g/mol
LogP2.78
Rot. Bonds3

About [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 77093531) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID77093531
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESCN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(-c3noc(C4CC4)n3)cc1)C2
InChIInChI=1S/C20H24N4O2/c1-23-10-13-2-9-17(12-23)24(11-13)20(25)16-7-3-14(4-8-16)18-21-19(26-22-18)15-5-6-15/h3-4,7-8,13,15,17H,2,5-6,9-12H2,1H3/t13-,17+/m0/s1
InChIKeyMUTJTMDPBRRTLL-SUMWQHHRSA-N
XLogP2.78
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone with MolForge

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Related Compounds

4-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]benzenesulfonamide
CID 70722110
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 56706456
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 53064640
(4-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051394
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
(3,4-diethoxyphenyl)-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70705542
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 67253358

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 77093531) is [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(-c3noc(C4CC4)n3)cc1)C2.
What is the InChIKey of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is MUTJTMDPBRRTLL-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23-10-13-2-9-17(12-23)24(11-13)20(25)16-7-3-14(4-8-16)18-21-19(26-22-18)15-5-6-15/h3-4,7-8,13,15,17H,2,5-6,9-12H2,1H3/t13-,17+/m0/s1.
What are the key properties of [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 77093531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).