(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C14H16FN5O2 — CID 124805542

IUPAC(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1nnc(C[C@@H]2C[C@@H]3CN(c4ncc(F)cn4)C[C@@H]3O2)o1
InChIInChI=1S/C14H16FN5O2/c1-8-18-19-13(21-8)3-11-2-9-6-20(7-12(9)22-11)14-16-4-10(15)5-17-14/h4-5,9,11-12H,2-3,6-7H2,1H3/t9-,11+,12+/m1/s1
InChIKeyAESLCFQQTLKHAU-USWWRNFRSA-N
MW305.31 g/mol
LogP1.14
Rot. Bonds3

About (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 124805542) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID124805542
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1nnc(C[C@@H]2C[C@@H]3CN(c4ncc(F)cn4)C[C@@H]3O2)o1
InChIInChI=1S/C14H16FN5O2/c1-8-18-19-13(21-8)3-11-2-9-6-20(7-12(9)22-11)14-16-4-10(15)5-17-14/h4-5,9,11-12H,2-3,6-7H2,1H3/t9-,11+,12+/m1/s1
InChIKeyAESLCFQQTLKHAU-USWWRNFRSA-N
XLogP1.14
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Related Compounds

(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
2-[(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
CID 97474888
(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,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97482942
(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97486587
(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97483101
(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97483988
(3S,3aR,6aR)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124805675
(2S,3aR,6aR)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124810396

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 124805542) is (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is Cc1nnc(C[C@@H]2C[C@@H]3CN(c4ncc(F)cn4)C[C@@H]3O2)o1.
What is the InChIKey of (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is AESLCFQQTLKHAU-USWWRNFRSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-8-18-19-13(21-8)3-11-2-9-6-20(7-12(9)22-11)14-16-4-10(15)5-17-14/h4-5,9,11-12H,2-3,6-7H2,1H3/t9-,11+,12+/m1/s1.
What are the key properties of (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 305.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 124805542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).