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

C13H19N3O3 — CID 128535857

IUPAC[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone
SMILESCCN1CC[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1
InChIInChI=1S/C13H19N3O3/c1-2-15-5-3-12-11(9-15)16(6-8-18-12)13(17)10-4-7-19-14-10/h4,7,11-12H,2-3,5-6,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyNWKQCSZCJCZIEK-NWDGAFQWSA-N
MW265.31 g/mol
LogP0.61
Rot. Bonds2

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

[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 128535857) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID128535857
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone
SMILESCCN1CC[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1
InChIInChI=1S/C13H19N3O3/c1-2-15-5-3-12-11(9-15)16(6-8-18-12)13(17)10-4-7-19-14-10/h4,7,11-12H,2-3,5-6,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyNWKQCSZCJCZIEK-NWDGAFQWSA-N
XLogP0.61
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone
CID 136582267
N-[[4-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-4-carbonyl]phenyl]methyl]prop-2-enamide
CID 166410478
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
[(4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyrazin-2-ylmethanone
CID 98895919
1-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]propan-1-one
CID 124881012
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375243
(4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135630
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369466
3,7-diazabicyclo[4.2.0]octan-7-yl(1,2-oxazol-3-yl)methanone
CID 68600950
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)pyrazine-2-carboxylic acid
CID 120685131
[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 80666279

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone (CID 128535857) is [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone is CCN1CC[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1.
What is the InChIKey of [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is NWKQCSZCJCZIEK-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-15-5-3-12-11(9-15)16(6-8-18-12)13(17)10-4-7-19-14-10/h4,7,11-12H,2-3,5-6,8-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone?
[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 128535857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).