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

C14H17N5O2 — CID 124808283

IUPAC(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1noc([C@@H]2C[C@H]3CCN(c4ncccn4)C[C@@H]3O2)n1
InChIInChI=1S/C14H17N5O2/c1-9-17-13(21-18-9)11-7-10-3-6-19(8-12(10)20-11)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11+,12+/m1/s1
InChIKeyLARUCMLPMRCQQB-WOPDTQHZSA-N
MW287.32 g/mol
LogP1.52
Rot. Bonds2

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

(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 124808283) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124808283
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1noc([C@@H]2C[C@H]3CCN(c4ncccn4)C[C@@H]3O2)n1
InChIInChI=1S/C14H17N5O2/c1-9-17-13(21-18-9)11-7-10-3-6-19(8-12(10)20-11)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11+,12+/m1/s1
InChIKeyLARUCMLPMRCQQB-WOPDTQHZSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

Cyclopentyl-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
CID 46956753
2-Cyclopentyl-1-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956754
(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
[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 118739267
5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 124753376
2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 164637370
5-[(2S)-5,5-dimethyloxolan-2-yl]-3-(4-methylpyrimidin-2-yl)-1,2,4-oxadiazole
CID 164642548
(2R,3aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97366496
(2S,3aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97366707
(2R,3aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369598
(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124806166
(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124811824

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 124808283) is (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Cc1noc([C@@H]2C[C@H]3CCN(c4ncccn4)C[C@@H]3O2)n1.
What is the InChIKey of (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is LARUCMLPMRCQQB-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-17-13(21-18-9)11-7-10-3-6-19(8-12(10)20-11)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11+,12+/m1/s1.
What are the key properties of (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 287.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124808283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).