2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone

C18H26N2O4 — CID 97476307

IUPAC2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
SMILESCc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)N4CCCCO4)O[C@@H]3C2)o1
InChIInChI=1S/C18H26N2O4/c1-13-4-5-15(23-13)11-19-10-14-8-16(24-17(14)12-19)9-18(21)20-6-2-3-7-22-20/h4-5,14,16-17H,2-3,6-12H2,1H3/t14-,16-,17+/m0/s1
InChIKeyNJLXKJFVPMXMRU-BHYGNILZSA-N
MW334.42 g/mol
LogP2.12
Rot. Bonds4

About 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone

2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone (PubChem CID 97476307) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
PubChem CID97476307
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
SMILESCc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)N4CCCCO4)O[C@@H]3C2)o1
InChIInChI=1S/C18H26N2O4/c1-13-4-5-15(23-13)11-19-10-14-8-16(24-17(14)12-19)9-18(21)20-6-2-3-7-22-20/h4-5,14,16-17H,2-3,6-12H2,1H3/t14-,16-,17+/m0/s1
InChIKeyNJLXKJFVPMXMRU-BHYGNILZSA-N
XLogP2.12
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone with MolForge

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Related Compounds

2-[(2S,3aS,6aS)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155827713
[(3aR,7R,7aR)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021806
2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 124788033
2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155855720
N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131648483
(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369234
2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 134071351
2-[(2S,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97476304
2-[(3aR,7S,7aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-(1,2-oxazolidin-2-yl)ethanone
CID 97387703
(2R,3aS,6aS)-5-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97486904
(5aR,9aS)-8-[(5-methylfuran-2-yl)methyl]-4-methylsulfonyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97409986
2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
CID 124802069

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The IUPAC name of 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone (CID 97476307) is 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone.
What is the SMILES notation for 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The canonical SMILES for 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone is Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)N4CCCCO4)O[C@@H]3C2)o1.
What is the InChIKey of 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The InChIKey is NJLXKJFVPMXMRU-BHYGNILZSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-4-5-15(23-13)11-19-10-14-8-16(24-17(14)12-19)9-18(21)20-6-2-3-7-22-20/h4-5,14,16-17H,2-3,6-12H2,1H3/t14-,16-,17+/m0/s1.
What are the key properties of 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone has a molecular weight of 334.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone is sourced from PubChem (CID 97476307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).