(8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine

C14H22N2O2 — CID 133142470

IUPAC(8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
SMILESCCc1ccc(CN2CCOC3CNCC[C@H]32)o1
InChIInChI=1S/C14H22N2O2/c1-2-11-3-4-12(18-11)10-16-7-8-17-14-9-15-6-5-13(14)16/h3-4,13-15H,2,5-10H2,1H3/t13-,14?/m1/s1
InChIKeyWRHRSDKYNLKSSD-KWCCSABGSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds3

About (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine

(8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine (PubChem CID 133142470) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name(8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
PubChem CID133142470
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
SMILESCCc1ccc(CN2CCOC3CNCC[C@H]32)o1
InChIInChI=1S/C14H22N2O2/c1-2-11-3-4-12(18-11)10-16-7-8-17-14-9-15-6-5-13(14)16/h3-4,13-15H,2,5-10H2,1H3/t13-,14?/m1/s1
InChIKeyWRHRSDKYNLKSSD-KWCCSABGSA-N
XLogP1.40
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine (CID 133142470) is (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine is CCc1ccc(CN2CCOC3CNCC[C@H]32)o1.
What is the InChIKey of (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine?
The InChIKey is WRHRSDKYNLKSSD-KWCCSABGSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-11-3-4-12(18-11)10-16-7-8-17-14-9-15-6-5-13(14)16/h3-4,13-15H,2,5-10H2,1H3/t13-,14?/m1/s1.
What are the key properties of (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine?
(8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine has a molecular weight of 250.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 133142470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).