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

C18H22N4O4 — CID 97482418

IUPAC[(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nnc(C4CC4)o3)C2)on1
InChIInChI=1S/C18H22N4O4/c1-10-6-15(26-21-10)18(23)22-5-4-13-12(8-22)9-24-14(13)7-16-19-20-17(25-16)11-2-3-11/h6,11-14H,2-5,7-9H2,1H3/t12-,13-,14-/m1/s1
InChIKeyIPIOOBXIMQQXEU-MGPQQGTHSA-N
MW358.40 g/mol
LogP1.96
Rot. Bonds4

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

[(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 97482418) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID97482418
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nnc(C4CC4)o3)C2)on1
InChIInChI=1S/C18H22N4O4/c1-10-6-15(26-21-10)18(23)22-5-4-13-12(8-22)9-24-14(13)7-16-19-20-17(25-16)11-2-3-11/h6,11-14H,2-5,7-9H2,1H3/t12-,13-,14-/m1/s1
InChIKeyIPIOOBXIMQQXEU-MGPQQGTHSA-N
XLogP1.96
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 97482418) is [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nnc(C4CC4)o3)C2)on1.
What is the InChIKey of [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is IPIOOBXIMQQXEU-MGPQQGTHSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-10-6-15(26-21-10)18(23)22-5-4-13-12(8-22)9-24-14(13)7-16-19-20-17(25-16)11-2-3-11/h6,11-14H,2-5,7-9H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 97482418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).