(2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C16H18FN5O2 — CID 97415471

IUPAC(2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESFc1cnc(N2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)nc1
InChIInChI=1S/C16H18FN5O2/c17-11-6-18-16(19-7-11)22-4-3-10-5-12(23-13(10)8-22)15-21-20-14(24-15)9-1-2-9/h6-7,9-10,12-13H,1-5,8H2/t10-,12-,13+/m0/s1
InChIKeyXJTGVYXSNCYILN-WCFLWFBJSA-N
MW331.35 g/mol
LogP2.23
Rot. Bonds3

About (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97415471) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97415471
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name(2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESFc1cnc(N2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)nc1
InChIInChI=1S/C16H18FN5O2/c17-11-6-18-16(19-7-11)22-4-3-10-5-12(23-13(10)8-22)15-21-20-14(24-15)9-1-2-9/h6-7,9-10,12-13H,1-5,8H2/t10-,12-,13+/m0/s1
InChIKeyXJTGVYXSNCYILN-WCFLWFBJSA-N
XLogP2.23
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

(2R,3aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97366496
(2S,3aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97366707
(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369256
(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369262
(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
(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124784764
(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124811824
(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369479

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97415471) is (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Fc1cnc(N2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)nc1.
What is the InChIKey of (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is XJTGVYXSNCYILN-WCFLWFBJSA-N. The full InChI is InChI=1S/C16H18FN5O2/c17-11-6-18-16(19-7-11)22-4-3-10-5-12(23-13(10)8-22)15-21-20-14(24-15)9-1-2-9/h6-7,9-10,12-13H,1-5,8H2/t10-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 331.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97415471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).