(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

C15H19N5O3 — CID 133143285

IUPAC(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
SMILESCOc1cc(N2CC[C@H]3O[C@H](c4nnc(C)o4)C[C@@H]3C2)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-19-15(22-9)12-5-10-7-20(4-3-11(10)23-12)13-6-14(21-2)17-8-16-13/h6,8,10-12H,3-5,7H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyBCPPDPVHFINATI-UTUOFQBUSA-N
MW317.35 g/mol
LogP1.53
Rot. Bonds3

About (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

(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 (PubChem CID 133143285) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID133143285
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(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
SMILESCOc1cc(N2CC[C@H]3O[C@H](c4nnc(C)o4)C[C@@H]3C2)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-19-15(22-9)12-5-10-7-20(4-3-11(10)23-12)13-6-14(21-2)17-8-16-13/h6,8,10-12H,3-5,7H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyBCPPDPVHFINATI-UTUOFQBUSA-N
XLogP1.53
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(3aR,7S,7aS)-2-(6-methoxypyrimidin-4-yl)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97950090
(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
(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97474278
(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97477929
(3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97950108
(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
(3aS,5S,7aS)-1-(6-methoxypyrimidin-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124808751

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(N2CC[C@H]3O[C@H](c4nnc(C)o4)C[C@@H]3C2)ncn1.
What is the InChIKey of (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?
The InChIKey is BCPPDPVHFINATI-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-18-19-15(22-9)12-5-10-7-20(4-3-11(10)23-12)13-6-14(21-2)17-8-16-13/h6,8,10-12H,3-5,7H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 317.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 133143285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).