[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone

C17H21N3O4 — CID 124810057

IUPAC[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H]3OCC[C@]3(c3nnc(C)o3)C2)c(C)o1
InChIInChI=1S/C17H21N3O4/c1-10-8-13(11(2)23-10)15(21)20-6-4-14-17(9-20,5-7-22-14)16-19-18-12(3)24-16/h8,14H,4-7,9H2,1-3H3/t14-,17-/m0/s1
InChIKeyQRMVJFWKKMICGR-YOEHRIQHSA-N
MW331.37 g/mol
LogP2.16
Rot. Bonds2

About [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone

[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 124810057) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID124810057
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H]3OCC[C@]3(c3nnc(C)o3)C2)c(C)o1
InChIInChI=1S/C17H21N3O4/c1-10-8-13(11(2)23-10)15(21)20-6-4-14-17(9-20,5-7-22-14)16-19-18-12(3)24-16/h8,14H,4-7,9H2,1-3H3/t14-,17-/m0/s1
InChIKeyQRMVJFWKKMICGR-YOEHRIQHSA-N
XLogP2.16
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone with MolForge

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Related Compounds

[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(1-benzofuran-2-yl)methanone
CID 97362839
[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(6-methyl-3-pyridinyl)methanone
CID 97362824
(3aS,7aR)-5-(2,5-dimethylfuran-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 146068666
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344
[(3aS,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(1-benzofuran-2-yl)methanone
CID 124806752
[(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylfuran-2-yl)methanone
CID 97362754
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
(2,5-dimethylfuran-3-yl)-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 129482977
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
(2,5-dimethylfuran-3-yl)-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 121021012
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577

Frequently Asked Questions

What is the IUPAC name of [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 124810057) is [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CC[C@@H]3OCC[C@]3(c3nnc(C)o3)C2)c(C)o1.
What is the InChIKey of [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is QRMVJFWKKMICGR-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-8-13(11(2)23-10)15(21)20-6-4-14-17(9-20,5-7-22-14)16-19-18-12(3)24-16/h8,14H,4-7,9H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone?
[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 331.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 124810057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).