[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone

C22H26N4O2 — CID 133113342

IUPAC[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone
SMILESCc1noc(C)c1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3cc[nH]c3c1)C2
InChIInChI=1S/C22H26N4O2/c1-14-20(15(2)28-24-14)13-25-10-16-3-6-19(12-25)26(11-16)22(27)18-5-4-17-7-8-23-21(17)9-18/h4-5,7-9,16,19,23H,3,6,10-13H2,1-2H3/t16-,19+/m1/s1
InChIKeyJDHKISHTQHKTOF-APWZRJJASA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds3

About [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone

[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone (PubChem CID 133113342) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone
PubChem CID133113342
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone
SMILESCc1noc(C)c1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3cc[nH]c3c1)C2
InChIInChI=1S/C22H26N4O2/c1-14-20(15(2)28-24-14)13-25-10-16-3-6-19(12-25)26(11-16)22(27)18-5-4-17-7-8-23-21(17)9-18/h4-5,7-9,16,19,23H,3,6,10-13H2,1-2H3/t16-,19+/m1/s1
InChIKeyJDHKISHTQHKTOF-APWZRJJASA-N
XLogP3.51
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone with MolForge

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Related Compounds

5-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyridine-2-carbonitrile
CID 133119259
(2,4-difluorophenyl)-[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72925043
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methylthiophen-2-yl)methanone
CID 72877227
(5-chloro-2-hydroxyphenyl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133137641
(3-amino-1H-pyrazol-5-yl)-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133118059
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 72841108
[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 164626462
1-[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 133137783
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(oxan-4-yl)methanone
CID 72872464
1H-indol-6-yl-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72874935
[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 72912571
2-[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetic acid
CID 72890514

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone (CID 133113342) is [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone is Cc1noc(C)c1CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3cc[nH]c3c1)C2.
What is the InChIKey of [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone?
The InChIKey is JDHKISHTQHKTOF-APWZRJJASA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-20(15(2)28-24-14)13-25-10-16-3-6-19(12-25)26(11-16)22(27)18-5-4-17-7-8-23-21(17)9-18/h4-5,7-9,16,19,23H,3,6,10-13H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone?
[(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 133113342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).