(3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine

C14H17N5O2 — CID 133136573

IUPAC(3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCc1noc([C@H]2C[C@@H]3OCC[C@@H]3N(c3ncccn3)C2)n1
InChIInChI=1S/C14H17N5O2/c1-9-17-13(21-18-9)10-7-12-11(3-6-20-12)19(8-10)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11-,12-/m0/s1
InChIKeyVKHUMDMMGXJKQH-SRVKXCTJSA-N
MW287.32 g/mol
LogP1.32
Rot. Bonds2

About (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine

(3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (PubChem CID 133136573) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name(3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
PubChem CID133136573
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCc1noc([C@H]2C[C@@H]3OCC[C@@H]3N(c3ncccn3)C2)n1
InChIInChI=1S/C14H17N5O2/c1-9-17-13(21-18-9)10-7-12-11(3-6-20-12)19(8-10)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11-,12-/m0/s1
InChIKeyVKHUMDMMGXJKQH-SRVKXCTJSA-N
XLogP1.32
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3aR,5R,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387909
(3aR,6R,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97387347
(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387716
(3aR,6S,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97388019
(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 133140678
(3aR,6R,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 155828927
(3aR,6R,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 155832610
(3aR,7S,7aS)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97364747
(3aR,5S,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364780
(3aR,6S,7aR)-N-propan-2-yl-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365060
(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97365069
(4R,4aS,8aR)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97367158

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The IUPAC name of (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (CID 133136573) is (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.
What is the SMILES notation for (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The canonical SMILES for (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is Cc1noc([C@H]2C[C@@H]3OCC[C@@H]3N(c3ncccn3)C2)n1.
What is the InChIKey of (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The InChIKey is VKHUMDMMGXJKQH-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-17-13(21-18-9)10-7-12-11(3-6-20-12)19(8-10)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11-,12-/m0/s1.
What are the key properties of (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
(3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine has a molecular weight of 287.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is sourced from PubChem (CID 133136573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).