[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

C17H21N3O2 — CID 94102823

IUPAC[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCO[C@H]4CCCC[C@H]43)cn12
InChIInChI=1S/C17H21N3O2/c1-12-5-4-8-16-18-13(11-20(12)16)17(21)19-9-10-22-15-7-3-2-6-14(15)19/h4-5,8,11,14-15H,2-3,6-7,9-10H2,1H3/t14-,15+/m1/s1
InChIKeyMNRLQEGCPMRKGE-CABCVRRESA-N
MW299.37 g/mol
LogP2.43
Rot. Bonds1

About [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 94102823) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID94102823
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCO[C@H]4CCCC[C@H]43)cn12
InChIInChI=1S/C17H21N3O2/c1-12-5-4-8-16-18-13(11-20(12)16)17(21)19-9-10-22-15-7-3-2-6-14(15)19/h4-5,8,11,14-15H,2-3,6-7,9-10H2,1H3/t14-,15+/m1/s1
InChIKeyMNRLQEGCPMRKGE-CABCVRRESA-N
XLogP2.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 94102823) is [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccc2nc(C(=O)N3CCO[C@H]4CCCC[C@H]43)cn12.
What is the InChIKey of [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is MNRLQEGCPMRKGE-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-5-4-8-16-18-13(11-20(12)16)17(21)19-9-10-22-15-7-3-2-6-14(15)19/h4-5,8,11,14-15H,2-3,6-7,9-10H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 94102823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).