[(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

C16H17N5O3 — CID 124796227

IUPAC[(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
SMILESO=C(c1ncccn1)N1C[C@H]2COC[C@@]2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C16H17N5O3/c22-14(12-17-4-1-5-18-12)21-6-11-7-23-9-16(11,8-21)15-20-19-13(24-15)10-2-3-10/h1,4-5,10-11H,2-3,6-9H2/t11-,16-/m0/s1
InChIKeyXINVMNKXHNBWBU-ZBEGNZNMSA-N
MW327.34 g/mol
LogP0.78
Rot. Bonds3

About [(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

[(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 (PubChem CID 124796227) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID124796227
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name[(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
SMILESO=C(c1ncccn1)N1C[C@H]2COC[C@@]2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C16H17N5O3/c22-14(12-17-4-1-5-18-12)21-6-11-7-23-9-16(11,8-21)15-20-19-13(24-15)10-2-3-10/h1,4-5,10-11H,2-3,6-9H2/t11-,16-/m0/s1
InChIKeyXINVMNKXHNBWBU-ZBEGNZNMSA-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 [(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 with MolForge

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Related Compounds

[(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-2-ylmethanone
CID 97422292
[(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
[(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 97485267
[(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-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 124808658

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is O=C(c1ncccn1)N1C[C@H]2COC[C@@]2(c2nnc(C3CC3)o2)C1.
What is the InChIKey of [(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?
The InChIKey is XINVMNKXHNBWBU-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-14(12-17-4-1-5-18-12)21-6-11-7-23-9-16(11,8-21)15-20-19-13(24-15)10-2-3-10/h1,4-5,10-11H,2-3,6-9H2/t11-,16-/m0/s1.
What are the key properties of [(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?
[(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 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 [(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 is sourced from PubChem (CID 124796227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).