1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone

C17H27N3O3 — CID 129346840

IUPAC1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
SMILESCCc1noc(CC)c1CC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1
InChIInChI=1S/C17H27N3O3/c1-4-13-12(15(5-2)23-18-13)10-17(21)20-7-6-16-14(11-20)19(3)8-9-22-16/h14,16H,4-11H2,1-3H3/t14-,16-/m1/s1
InChIKeyFKBCMPXZQFOWAM-GDBMZVCRSA-N
MW321.42 g/mol
LogP1.27
Rot. Bonds4

About 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone

1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 129346840) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
PubChem CID129346840
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
SMILESCCc1noc(CC)c1CC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1
InChIInChI=1S/C17H27N3O3/c1-4-13-12(15(5-2)23-18-13)10-17(21)20-7-6-16-14(11-20)19(3)8-9-22-16/h14,16H,4-11H2,1-3H3/t14-,16-/m1/s1
InChIKeyFKBCMPXZQFOWAM-GDBMZVCRSA-N
XLogP1.27
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone (CID 129346840) is 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone is CCc1noc(CC)c1CC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1.
What is the InChIKey of 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is FKBCMPXZQFOWAM-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-13-12(15(5-2)23-18-13)10-17(21)20-7-6-16-14(11-20)19(3)8-9-22-16/h14,16H,4-11H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone?
1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 321.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 129346840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).