[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C15H23N3O2 — CID 72903367

IUPAC[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)no1
InChIInChI=1S/C15H23N3O2/c1-3-4-13-7-14(16-20-13)15(19)18-9-11-5-6-12(18)10-17(2)8-11/h7,11-12H,3-6,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyAPNBBJFCTOKDNI-NWDGAFQWSA-N
MW277.37 g/mol
LogP1.79
Rot. Bonds3

About [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 72903367) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID72903367
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)no1
InChIInChI=1S/C15H23N3O2/c1-3-4-13-7-14(16-20-13)15(19)18-9-11-5-6-12(18)10-17(2)8-11/h7,11-12H,3-6,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyAPNBBJFCTOKDNI-NWDGAFQWSA-N
XLogP1.79
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 70728444
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 22427573
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 56865747
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
(5-methyl-1,2-oxazol-3-yl)-[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133126114
(3,4-diethoxyphenyl)-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70705542
1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110098205
[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
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 74242307
(4-chloro-3-methylphenyl)-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70786453

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 72903367) is [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)no1.
What is the InChIKey of [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is APNBBJFCTOKDNI-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-13-7-14(16-20-13)15(19)18-9-11-5-6-12(18)10-17(2)8-11/h7,11-12H,3-6,8-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 72903367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).