[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone

C18H21N3O4 — CID 124893219

IUPAC[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1
InChIInChI=1S/C18H21N3O4/c1-10-5-7-23-15(10)18(22)21-6-4-12-8-13(24-14(12)9-21)17-20-19-16(25-17)11-2-3-11/h5,7,11-14H,2-4,6,8-9H2,1H3/t12-,13-,14+/m1/s1
InChIKeyBSHGDEVFWMOHSG-MCIONIFRSA-N
MW343.38 g/mol
LogP2.84
Rot. Bonds3

About [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone

[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 124893219) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone
PubChem CID124893219
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1
InChIInChI=1S/C18H21N3O4/c1-10-5-7-23-15(10)18(22)21-6-4-12-8-13(24-14(12)9-21)17-20-19-16(25-17)11-2-3-11/h5,7,11-14H,2-4,6,8-9H2,1H3/t12-,13-,14+/m1/s1
InChIKeyBSHGDEVFWMOHSG-MCIONIFRSA-N
XLogP2.84
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone (CID 124893219) is [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1.
What is the InChIKey of [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is BSHGDEVFWMOHSG-MCIONIFRSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10-5-7-23-15(10)18(22)21-6-4-12-8-13(24-14(12)9-21)17-20-19-16(25-17)11-2-3-11/h5,7,11-14H,2-4,6,8-9H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone?
[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 343.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 124893219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).