6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile

C19H21N5O2 — CID 70721833

IUPAC6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile
SMILESCc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1cccc(C#N)n1)C2
InChIInChI=1S/C19H21N5O2/c1-12-17(13(2)26-22-12)11-24-16-7-6-14(19(24)25)9-23(10-16)18-5-3-4-15(8-20)21-18/h3-5,14,16H,6-7,9-11H2,1-2H3/t14-,16+/m0/s1
InChIKeyGSXVTXSREIGCJS-GOEBONIOSA-N
MW351.41 g/mol
LogP2.19
Rot. Bonds3

About 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile

6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile (PubChem CID 70721833) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile
PubChem CID70721833
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile
SMILESCc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1cccc(C#N)n1)C2
InChIInChI=1S/C19H21N5O2/c1-12-17(13(2)26-22-12)11-24-16-7-6-14(19(24)25)9-23(10-16)18-5-3-4-15(8-20)21-18/h3-5,14,16H,6-7,9-11H2,1-2H3/t14-,16+/m0/s1
InChIKeyGSXVTXSREIGCJS-GOEBONIOSA-N
XLogP2.19
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 78082370
(1R,5S)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1,3-thiazol-2-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133111999
(1R,5S)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133120732
(1R,5S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133111476
(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(7H-purin-6-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70714600
(1R,5S)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(4-methylphenyl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133125537
(1R,5S)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazole-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133112584
(1R,5S)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methyl-1H-pyrrole-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133109882
(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(5-methylpyrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72927332
6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
CID 131911644
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(5-methylpyrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 156604268
(1R,5S)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1-methylpyrazole-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133135877

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile (CID 70721833) is 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile is Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1cccc(C#N)n1)C2.
What is the InChIKey of 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile?
The InChIKey is GSXVTXSREIGCJS-GOEBONIOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-17(13(2)26-22-12)11-24-16-7-6-14(19(24)25)9-23(10-16)18-5-3-4-15(8-20)21-18/h3-5,14,16H,6-7,9-11H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile?
6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,5R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 70721833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).