[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C18H20N4O2 — CID 170512265

IUPAC[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C([C@H]1C[C@H]2CC[C@@H]1N2)N1CCc2oc(-c3cccnc3)nc2C1
InChIInChI=1S/C18H20N4O2/c23-18(13-8-12-3-4-14(13)20-12)22-7-5-16-15(10-22)21-17(24-16)11-2-1-6-19-9-11/h1-2,6,9,12-14,20H,3-5,7-8,10H2/t12-,13+,14+/m1/s1
InChIKeyMVVSRJLPRSWBBY-RDBSUJKOSA-N
MW324.38 g/mol
LogP1.76
Rot. Bonds2

About [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170512265) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170512265
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C([C@H]1C[C@H]2CC[C@@H]1N2)N1CCc2oc(-c3cccnc3)nc2C1
InChIInChI=1S/C18H20N4O2/c23-18(13-8-12-3-4-14(13)20-12)22-7-5-16-15(10-22)21-17(24-16)11-2-1-6-19-9-11/h1-2,6,9,12-14,20H,3-5,7-8,10H2/t12-,13+,14+/m1/s1
InChIKeyMVVSRJLPRSWBBY-RDBSUJKOSA-N
XLogP1.76
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(1-methylpyrrolidin-3-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512029
(5R,6S)-5-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374
2-ethoxy-1-[4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 170509764
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169420006
5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile
CID 169413116
1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
CID 170504120
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502442
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride
CID 171710821
oxolan-2-yl-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169413850
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504699
cis-methyl (1R,3S)-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)cyclopentane-1-carboxylate
CID 170509621
(6R,7R,8aR)-6-ethyl-7-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hydrochloride
CID 171713299

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170512265) is [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is O=C([C@H]1C[C@H]2CC[C@@H]1N2)N1CCc2oc(-c3cccnc3)nc2C1.
What is the InChIKey of [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is MVVSRJLPRSWBBY-RDBSUJKOSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(13-8-12-3-4-14(13)20-12)22-7-5-16-15(10-22)21-17(24-16)11-2-1-6-19-9-11/h1-2,6,9,12-14,20H,3-5,7-8,10H2/t12-,13+,14+/m1/s1.
What are the key properties of [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170512265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).