(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C16H19N5O3 — CID 97369263

IUPAC(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCOc1cc(N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)ncn1
InChIInChI=1S/C16H19N5O3/c1-22-14-5-13(17-8-18-14)21-6-10-4-11(23-12(10)7-21)16-20-19-15(24-16)9-2-3-9/h5,8-12H,2-4,6-7H2,1H3/t10-,11-,12+/m0/s1
InChIKeyGRABNOFAIMDAAT-SDDRHHMPSA-N
MW329.36 g/mol
LogP1.71
Rot. Bonds4

About (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 97369263) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID97369263
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCOc1cc(N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)ncn1
InChIInChI=1S/C16H19N5O3/c1-22-14-5-13(17-8-18-14)21-6-10-4-11(23-12(10)7-21)16-20-19-15(24-16)9-2-3-9/h5,8-12H,2-4,6-7H2,1H3/t10-,11-,12+/m0/s1
InChIKeyGRABNOFAIMDAAT-SDDRHHMPSA-N
XLogP1.71
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Related Compounds

(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97483174
(2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124794071
(2S,3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 133140785
(2S,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 133143285

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 97369263) is (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is COc1cc(N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)ncn1.
What is the InChIKey of (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is GRABNOFAIMDAAT-SDDRHHMPSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-22-14-5-13(17-8-18-14)21-6-10-4-11(23-12(10)7-21)16-20-19-15(24-16)9-2-3-9/h5,8-12H,2-4,6-7H2,1H3/t10-,11-,12+/m0/s1.
What are the key properties of (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 329.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 97369263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).