(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

C13H15N5O2 — CID 124805675

IUPAC(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
SMILESCc1nnc([C@@H]2CO[C@H]3CN(c4ncccn4)C[C@H]32)o1
InChIInChI=1S/C13H15N5O2/c1-8-16-17-12(20-8)10-7-19-11-6-18(5-9(10)11)13-14-3-2-4-15-13/h2-4,9-11H,5-7H2,1H3/t9-,10+,11-/m0/s1
InChIKeyBCKIYBLJCZWTPW-AXFHLTTASA-N
MW273.30 g/mol
LogP0.79
Rot. Bonds2

About (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

(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 (PubChem CID 124805675) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124805675
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(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
SMILESCc1nnc([C@@H]2CO[C@H]3CN(c4ncccn4)C[C@H]32)o1
InChIInChI=1S/C13H15N5O2/c1-8-16-17-12(20-8)10-7-19-11-6-18(5-9(10)11)13-14-3-2-4-15-13/h2-4,9-11H,5-7H2,1H3/t9-,10+,11-/m0/s1
InChIKeyBCKIYBLJCZWTPW-AXFHLTTASA-N
XLogP0.79
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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,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
(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
(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
(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
2-[(2R,4S)-4-methoxy-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
CID 137952932

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nnc([C@@H]2CO[C@H]3CN(c4ncccn4)C[C@H]32)o1.
What is the InChIKey of (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?
The InChIKey is BCKIYBLJCZWTPW-AXFHLTTASA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-16-17-12(20-8)10-7-19-11-6-18(5-9(10)11)13-14-3-2-4-15-13/h2-4,9-11H,5-7H2,1H3/t9-,10+,11-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 273.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124805675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).