[(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone

C16H19N5O3 — CID 97474589

IUPAC[(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
SMILESCc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)c4ncccn4)CC[C@H]32)o1
InChIInChI=1S/C16H19N5O3/c1-10-19-20-14(24-10)7-13-12-3-6-21(8-11(12)9-23-13)16(22)15-17-4-2-5-18-15/h2,4-5,11-13H,3,6-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyGNCVYFRUKLCUDG-UPJWGTAASA-N
MW329.36 g/mol
LogP0.89
Rot. Bonds3

About [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone

[(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone (PubChem CID 97474589) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
PubChem CID97474589
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name[(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
SMILESCc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)c4ncccn4)CC[C@H]32)o1
InChIInChI=1S/C16H19N5O3/c1-10-19-20-14(24-10)7-13-12-3-6-21(8-11(12)9-23-13)16(22)15-17-4-2-5-18-15/h2,4-5,11-13H,3,6-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyGNCVYFRUKLCUDG-UPJWGTAASA-N
XLogP0.89
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone with MolForge

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Related Compounds

(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97475674
(3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97364772
[(1S,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]-pyrimidin-4-ylmethanone
CID 97474316
2-[(1R,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-1-pyrrolidin-1-ylethanone
CID 97474653
[(1S,3aR,7aR)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
CID 97475761
2-[(1S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-1-pyrrolidin-1-ylethanone
CID 97476328
[(1R,3aR,7aR)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
CID 97476610
2-[(1S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-1-(1,2-oxazolidin-2-yl)ethanone
CID 97483703
(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97485750
2-[(1S,3aS,7aS)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124787197
[(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
CID 124819459
2-[(1S,3aR,7aR)-5-[(1-ethylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(pyrimidin-2-ylmethyl)acetamide
CID 131685567

Frequently Asked Questions

What is the IUPAC name of [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone (CID 97474589) is [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone is Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)c4ncccn4)CC[C@H]32)o1.
What is the InChIKey of [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone?
The InChIKey is GNCVYFRUKLCUDG-UPJWGTAASA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-19-20-14(24-10)7-13-12-3-6-21(8-11(12)9-23-13)16(22)15-17-4-2-5-18-15/h2,4-5,11-13H,3,6-9H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone?
[(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone has a molecular weight of 329.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 97474589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).