[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C16H23N3O2 — CID 110140191

IUPAC[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2
InChIInChI=1S/C16H23N3O2/c1-10-14(21-9-18-10)15(20)19-11-7-16(2)12(17-8-11)5-3-4-6-13(16)19/h9,11-13,17H,3-8H2,1-2H3/t11-,12+,13-,16+/m0/s1
InChIKeyCASYJSPXZNHVJM-RSUWNVLCSA-N
MW289.38 g/mol
LogP2.12
Rot. Bonds1

About [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 110140191) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID110140191
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2
InChIInChI=1S/C16H23N3O2/c1-10-14(21-9-18-10)15(20)19-11-7-16(2)12(17-8-11)5-3-4-6-13(16)19/h9,11-13,17H,3-8H2,1-2H3/t11-,12+,13-,16+/m0/s1
InChIKeyCASYJSPXZNHVJM-RSUWNVLCSA-N
XLogP2.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 110140441
[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-pyridazin-3-ylmethanone
CID 110140178
[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 110141211
(1S,4R,10R)-10-methyl-12-(7H-purin-6-yl)-3,12-diazatricyclo[7.2.1.04,10]dodecane
CID 110134554
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 59361676
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254
(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 79506581
ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79487941
[(1S,2S,4R,9S,10S)-2-benzyl-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-3-yl]-(4-methyl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 171687422
(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024608
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 110140191) is [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2.
What is the InChIKey of [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is CASYJSPXZNHVJM-RSUWNVLCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-14(21-9-18-10)15(20)19-11-7-16(2)12(17-8-11)5-3-4-6-13(16)19/h9,11-13,17H,3-8H2,1-2H3/t11-,12+,13-,16+/m0/s1.
What are the key properties of [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110140191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).