[(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

C16H19N3O4 — CID 124799086

IUPAC[(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
SMILESCc1noc([C@@H]2C[C@H]3CCN(C(=O)c4ccc(C)o4)C[C@@H]3O2)n1
InChIInChI=1S/C16H19N3O4/c1-9-3-4-12(21-9)16(20)19-6-5-11-7-13(22-14(11)8-19)15-17-10(2)18-23-15/h3-4,11,13-14H,5-8H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyNIDQUVGOBBHOOX-XBFCOCLRSA-N
MW317.35 g/mol
LogP2.27
Rot. Bonds2

About [(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

[(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 (PubChem CID 124799086) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID124799086
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name[(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
SMILESCc1noc([C@@H]2C[C@H]3CCN(C(=O)c4ccc(C)o4)C[C@@H]3O2)n1
InChIInChI=1S/C16H19N3O4/c1-9-3-4-12(21-9)16(20)19-6-5-11-7-13(22-14(11)8-19)15-17-10(2)18-23-15/h3-4,11,13-14H,5-8H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyNIDQUVGOBBHOOX-XBFCOCLRSA-N
XLogP2.27
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(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 with MolForge

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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
[(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
[(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]-thiophen-3-ylmethanone
CID 97392551
[(2S,3aR,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]-(1,3-thiazol-4-yl)methanone
CID 124811162
(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
[(2S,3aR,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]-(2-methoxy-3-pyridinyl)methanone
CID 124810118
[(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97367356
1-[(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97367354
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)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369250
[(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
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1noc([C@@H]2C[C@H]3CCN(C(=O)c4ccc(C)o4)C[C@@H]3O2)n1.
What is the InChIKey of [(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?
The InChIKey is NIDQUVGOBBHOOX-XBFCOCLRSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9-3-4-12(21-9)16(20)19-6-5-11-7-13(22-14(11)8-19)15-17-10(2)18-23-15/h3-4,11,13-14H,5-8H2,1-2H3/t11-,13+,14+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 317.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 124799086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).