2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone

C15H20N2O3 — CID 71875718

IUPAC2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone
SMILESCOc1ccnc(C(=O)N2CCOC3CCCCC32)c1
InChIInChI=1S/C15H20N2O3/c1-19-11-6-7-16-12(10-11)15(18)17-8-9-20-14-5-3-2-4-13(14)17/h6-7,10,13-14H,2-5,8-9H2,1H3
InChIKeyQAZOSOSKMSVQKH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds2

About 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone (PubChem CID 71875718) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone
PubChem CID71875718
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone
SMILESCOc1ccnc(C(=O)N2CCOC3CCCCC32)c1
InChIInChI=1S/C15H20N2O3/c1-19-11-6-7-16-12(10-11)15(18)17-8-9-20-14-5-3-2-4-13(14)17/h6-7,10,13-14H,2-5,8-9H2,1H3
InChIKeyQAZOSOSKMSVQKH-UHFFFAOYSA-N
XLogP1.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone?
The IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone (CID 71875718) is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone?
The canonical SMILES for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone is COc1ccnc(C(=O)N2CCOC3CCCCC32)c1.
What is the InChIKey of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone?
The InChIKey is QAZOSOSKMSVQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-11-6-7-16-12(10-11)15(18)17-8-9-20-14-5-3-2-4-13(14)17/h6-7,10,13-14H,2-5,8-9H2,1H3.
What are the key properties of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone?
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone has a molecular weight of 276.34 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 71875718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).