[(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone

C13H18N2O3 — CID 133142985

IUPAC[(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCOC2CNCC[C@H]21
InChIInChI=1S/C13H18N2O3/c1-9-3-6-18-12(9)13(16)15-5-7-17-11-8-14-4-2-10(11)15/h3,6,10-11,14H,2,4-5,7-8H2,1H3/t10-,11?/m1/s1
InChIKeySAVSDOZTYHVYBS-NFJWQWPMSA-N
MW250.30 g/mol
LogP0.79
Rot. Bonds1

About [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone

[(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 133142985) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID133142985
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCOC2CNCC[C@H]21
InChIInChI=1S/C13H18N2O3/c1-9-3-6-18-12(9)13(16)15-5-7-17-11-8-14-4-2-10(11)15/h3,6,10-11,14H,2,4-5,7-8H2,1H3/t10-,11?/m1/s1
InChIKeySAVSDOZTYHVYBS-NFJWQWPMSA-N
XLogP0.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 133142985) is [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCOC2CNCC[C@H]21.
What is the InChIKey of [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is SAVSDOZTYHVYBS-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-6-18-12(9)13(16)15-5-7-17-11-8-14-4-2-10(11)15/h3,6,10-11,14H,2,4-5,7-8H2,1H3/t10-,11?/m1/s1.
What are the key properties of [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone?
[(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 133142985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).