(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

C15H19N3O3 — CID 97369234

IUPAC(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
SMILESCc1noc([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C[C@H]3O2)n1
InChIInChI=1S/C15H19N3O3/c1-9-3-4-12(19-9)7-18-6-11-5-13(20-14(11)8-18)15-16-10(2)17-21-15/h3-4,11,13-14H,5-8H2,1-2H3/t11-,13-,14+/m0/s1
InChIKeyHBGBKBFAWGALCL-FPMFFAJLSA-N
MW289.33 g/mol
LogP2.24
Rot. Bonds3

About (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

(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 (PubChem CID 97369234) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97369234
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(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
SMILESCc1noc([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C[C@H]3O2)n1
InChIInChI=1S/C15H19N3O3/c1-9-3-4-12(19-9)7-18-6-11-5-13(20-14(11)8-18)15-16-10(2)17-21-15/h3-4,11,13-14H,5-8H2,1-2H3/t11-,13-,14+/m0/s1
InChIKeyHBGBKBFAWGALCL-FPMFFAJLSA-N
XLogP2.24
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3aR,7aR)-6-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124811789
[(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(5-methylfuran-2-yl)methanone
CID 124799086
(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369250
(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124810298
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587
(2S,3aS,7aS)-6-[(5-methylfuran-2-yl)methyl]-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369667
3-[(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]-1-methylpyridin-2-one
CID 131687468
[(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97369254
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
(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155855761
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97392553
(2S,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 127022247

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1noc([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C[C@H]3O2)n1.
What is the InChIKey of (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?
The InChIKey is HBGBKBFAWGALCL-FPMFFAJLSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-3-4-12(19-9)7-18-6-11-5-13(20-14(11)8-18)15-16-10(2)17-21-15/h3-4,11,13-14H,5-8H2,1-2H3/t11-,13-,14+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 289.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97369234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).