[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone

C14H23FN2O2 — CID 131687660

IUPAC[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone
SMILESCCN1CCO[C@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]21
InChIInChI=1S/C14H23FN2O2/c1-2-16-5-6-19-13-3-4-17(9-12(13)16)14(18)10-7-11(15)8-10/h10-13H,2-9H2,1H3/t10?,11?,12-,13-/m0/s1
InChIKeyIZYBBSCYARBHIK-TYUFSLCMSA-N
MW270.35 g/mol
LogP1.06
Rot. Bonds2

About [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone

[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone (PubChem CID 131687660) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone.

Molecular Properties

Compound Name[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone
PubChem CID131687660
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone
SMILESCCN1CCO[C@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]21
InChIInChI=1S/C14H23FN2O2/c1-2-16-5-6-19-13-3-4-17(9-12(13)16)14(18)10-7-11(15)8-10/h10-13H,2-9H2,1H3/t10?,11?,12-,13-/m0/s1
InChIKeyIZYBBSCYARBHIK-TYUFSLCMSA-N
XLogP1.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone?
The IUPAC name of [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone (CID 131687660) is [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone.
What is the SMILES notation for [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone?
The canonical SMILES for [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone is CCN1CCO[C@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]21.
What is the InChIKey of [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone?
The InChIKey is IZYBBSCYARBHIK-TYUFSLCMSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-2-16-5-6-19-13-3-4-17(9-12(13)16)14(18)10-7-11(15)8-10/h10-13H,2-9H2,1H3/t10?,11?,12-,13-/m0/s1.
What are the key properties of [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone?
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone has a molecular weight of 270.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-fluorocyclobutyl)methanone is sourced from PubChem (CID 131687660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).