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

C14H22F2N2O2 — CID 131686732

IUPAC[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
SMILESCCN1CCO[C@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@@H]21
InChIInChI=1S/C14H22F2N2O2/c1-2-17-5-6-20-12-3-4-18(9-11(12)17)13(19)10-7-14(15,16)8-10/h10-12H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyJSGHJRNKXUIGAX-RYUDHWBXSA-N
MW288.34 g/mol
LogP1.35
Rot. Bonds2

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

[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone (PubChem CID 131686732) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 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]-(3,3-difluorocyclobutyl)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]-(3,3-difluorocyclobutyl)methanone
PubChem CID131686732
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
SMILESCCN1CCO[C@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@@H]21
InChIInChI=1S/C14H22F2N2O2/c1-2-17-5-6-20-12-3-4-18(9-11(12)17)13(19)10-7-14(15,16)8-10/h10-12H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyJSGHJRNKXUIGAX-RYUDHWBXSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.35
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]-(3,3-difluorocyclobutyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4,4-Difluoro-1-methylpiperidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
CID 58469379
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131685922
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131686038
[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131686379
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131686731
[(4aS,8aS)-4-methylsulfonyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131686908
[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
CID 131686932
[(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
[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
CID 131686978
[(4aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131687066
[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131687227
[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131687232

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]-(3,3-difluorocyclobutyl)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]-(3,3-difluorocyclobutyl)methanone (CID 131686732) is [(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)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]-(3,3-difluorocyclobutyl)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]-(3,3-difluorocyclobutyl)methanone is CCN1CCO[C@H]2CCN(C(=O)C3CC(F)(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]-(3,3-difluorocyclobutyl)methanone?
The InChIKey is JSGHJRNKXUIGAX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-2-17-5-6-20-12-3-4-18(9-11(12)17)13(19)10-7-14(15,16)8-10/h10-12H,2-9H2,1H3/t11-,12-/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]-(3,3-difluorocyclobutyl)methanone?
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone has a molecular weight of 288.34 g/mol, XLogP of 1.35, 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]-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 131686732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).