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

C14H23FN2O3 — CID 131686965

IUPAC[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
SMILESCOCCN1CCO[C@H]2CCN(C(=O)C3(F)CC3)C[C@@H]21
InChIInChI=1S/C14H23FN2O3/c1-19-8-6-16-7-9-20-12-2-5-17(10-11(12)16)13(18)14(15)3-4-14/h11-12H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyHWBVTBWIKKTHBU-RYUDHWBXSA-N
MW286.35 g/mol
LogP0.44
Rot. Bonds4

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

[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131686965) has the molecular formula C14H23FN2O3 and a molecular weight of 286.35 g/mol. Its IUPAC name is [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131686965
Molecular FormulaC14H23FN2O3
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
SMILESCOCCN1CCO[C@H]2CCN(C(=O)C3(F)CC3)C[C@@H]21
InChIInChI=1S/C14H23FN2O3/c1-19-8-6-16-7-9-20-12-2-5-17(10-11(12)16)13(18)14(15)3-4-14/h11-12H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyHWBVTBWIKKTHBU-RYUDHWBXSA-N
XLogP0.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone (CID 131686965) is [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone is COCCN1CCO[C@H]2CCN(C(=O)C3(F)CC3)C[C@@H]21.
What is the InChIKey of [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is HWBVTBWIKKTHBU-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23FN2O3/c1-19-8-6-16-7-9-20-12-2-5-17(10-11(12)16)13(18)14(15)3-4-14/h11-12H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 286.35 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 131686965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).