[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone

C16H17N5O3 — CID 97422348

IUPAC[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C16H17N5O3/c22-14(12-3-4-17-9-18-12)21-5-11-6-23-8-16(11,7-21)15-20-19-13(24-15)10-1-2-10/h3-4,9-11H,1-2,5-8H2/t11-,16-/m1/s1
InChIKeyCUEMHGRJQQGLKL-BDJLRTHQSA-N
MW327.34 g/mol
LogP0.78
Rot. Bonds3

About [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone

[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 97422348) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
PubChem CID97422348
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C16H17N5O3/c22-14(12-3-4-17-9-18-12)21-5-11-6-23-8-16(11,7-21)15-20-19-13(24-15)10-1-2-10/h3-4,9-11H,1-2,5-8H2/t11-,16-/m1/s1
InChIKeyCUEMHGRJQQGLKL-BDJLRTHQSA-N
XLogP0.78
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone with MolForge

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Related Compounds

[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97421356
[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 97422357
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97422272
[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97422334
[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97423217
[(3aS,6aS)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 124788450
[(3aS,6aS)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 124796227
[(3aS,6aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 124806336
[(3aS,6aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 124810670
[(3aS,6aS)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 124893506
[(3AR,7AR)-2-Cyclopentyl-7A-(5-methyl-1,3,4-oxadiazol-2-YL)octahydro-5H-pyrrolo[3,4-C]pyridin-5-YL](4-pyrimidinyl)methanone
CID 146068636
methyl rel-(3aS,6aS)-5-(pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl)tetrahydro-1H-furo[3,4-c]pyrrole-3a(3H)-carboxylate
CID 162628144

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone (CID 97422348) is [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1.
What is the InChIKey of [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is CUEMHGRJQQGLKL-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-14(12-3-4-17-9-18-12)21-5-11-6-23-8-16(11,7-21)15-20-19-13(24-15)10-1-2-10/h3-4,9-11H,1-2,5-8H2/t11-,16-/m1/s1.
What are the key properties of [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone?
[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 327.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 97422348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).