4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone

C18H19N3O2 — CID 128536760

IUPAC4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)no1)N1CC2C3CCC(C3)C2C1
InChIInChI=1S/C18H19N3O2/c22-18(17-8-16(20-23-17)15-3-1-2-6-19-15)21-9-13-11-4-5-12(7-11)14(13)10-21/h1-3,6,8,11-14H,4-5,7,9-10H2
InChIKeyTVBLGMDNWPRWIV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.85
Rot. Bonds2

About 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone

4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 128536760) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID128536760
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)no1)N1CC2C3CCC(C3)C2C1
InChIInChI=1S/C18H19N3O2/c22-18(17-8-16(20-23-17)15-3-1-2-6-19-15)21-9-13-11-4-5-12(7-11)14(13)10-21/h1-3,6,8,11-14H,4-5,7,9-10H2
InChIKeyTVBLGMDNWPRWIV-UHFFFAOYSA-N
XLogP2.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112227
(4-cyclopentyl-1,4-diazepan-1-yl)-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 71925428
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
[(3aS,6aS)-5-[(E)-3-chloroprop-2-enyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 146146772
[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 129358849
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
CID 120806988
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 167798280
(3S,4S)-4-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952058
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 46427191
[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 56873824
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone (CID 128536760) is 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone is O=C(c1cc(-c2ccccn2)no1)N1CC2C3CCC(C3)C2C1.
What is the InChIKey of 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is TVBLGMDNWPRWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18(17-8-16(20-23-17)15-3-1-2-6-19-15)21-9-13-11-4-5-12(7-11)14(13)10-21/h1-3,6,8,11-14H,4-5,7,9-10H2.
What are the key properties of 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 128536760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).