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

C16H24N2O3 — CID 98895065

IUPAC[(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC[C@@H]2OCCN(C(C)C)[C@H]2C1
InChIInChI=1S/C16H24N2O3/c1-11(2)18-7-9-21-15-4-6-17(10-14(15)18)16(19)13-5-8-20-12(13)3/h5,8,11,14-15H,4,6-7,9-10H2,1-3H3/t14-,15-/m0/s1
InChIKeyGYBZOKHAMAJSHS-GJZGRUSLSA-N
MW292.38 g/mol
LogP1.91
Rot. Bonds2

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

[(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 98895065) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone
PubChem CID98895065
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC[C@@H]2OCCN(C(C)C)[C@H]2C1
InChIInChI=1S/C16H24N2O3/c1-11(2)18-7-9-21-15-4-6-17(10-14(15)18)16(19)13-5-8-20-12(13)3/h5,8,11,14-15H,4,6-7,9-10H2,1-3H3/t14-,15-/m0/s1
InChIKeyGYBZOKHAMAJSHS-GJZGRUSLSA-N
XLogP1.91
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(4aS,8aS)-4-methylsulfonyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone
CID 98897593
[(4aR,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone
CID 97002306
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-methylfuran-2-yl)methanone
CID 98894959
methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
CID 99859108
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone (CID 98895065) is [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CC[C@@H]2OCCN(C(C)C)[C@H]2C1.
What is the InChIKey of [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is GYBZOKHAMAJSHS-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)18-7-9-21-15-4-6-17(10-14(15)18)16(19)13-5-8-20-12(13)3/h5,8,11,14-15H,4,6-7,9-10H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone?
[(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-4-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 98895065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).