methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate

C16H24N2O4 — CID 124845826

IUPACmethyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc([C@H](C)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1C
InChIInChI=1S/C16H24N2O4/c1-10-7-13(22-15(10)16(19)20-4)11(2)18-8-12-14(9-18)21-6-5-17(12)3/h7,11-12,14H,5-6,8-9H2,1-4H3/t11-,12-,14-/m0/s1
InChIKeyVKWUHDPWPPZFCP-OBJOEFQTSA-N
MW308.38 g/mol
LogP1.45
Rot. Bonds3

About methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate

methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate (PubChem CID 124845826) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate
PubChem CID124845826
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc([C@H](C)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1C
InChIInChI=1S/C16H24N2O4/c1-10-7-13(22-15(10)16(19)20-4)11(2)18-8-12-14(9-18)21-6-5-17(12)3/h7,11-12,14H,5-6,8-9H2,1-4H3/t11-,12-,14-/m0/s1
InChIKeyVKWUHDPWPPZFCP-OBJOEFQTSA-N
XLogP1.45
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(1R)-1-chloroethyl]-3-methylfuran-2-carboxylate
CID 96581725
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4,5-dimethoxy-2-methylphenyl)methanone
CID 129350637
1-methyl-6-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine
CID 178050349
(4aS,7aS)-4-methyl-6-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 98851778
(2R)-2-amino-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)propan-1-one;hydrochloride
CID 120873057
methyl 3-methyl-5-[(1S)-1-[methyl-[(3S)-2-oxo-1-phenylpiperidin-3-yl]amino]ethyl]furan-2-carboxylate
CID 124840559
(4aS,7aR)-4,6-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 90339163
N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 169414968
methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate
CID 97241320
(3,4-dimethoxyphenyl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974421
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-chloro-6-methoxyphenyl)methanone
CID 122084603
1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
CID 122084613

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate (CID 124845826) is methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc([C@H](C)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1C.
What is the InChIKey of methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate?
The InChIKey is VKWUHDPWPPZFCP-OBJOEFQTSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10-7-13(22-15(10)16(19)20-4)11(2)18-8-12-14(9-18)21-6-5-17(12)3/h7,11-12,14H,5-6,8-9H2,1-4H3/t11-,12-,14-/m0/s1.
What are the key properties of methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate?
methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1S)-1-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]ethyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 124845826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).