[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

C15H17N5O3 — CID 124806526

IUPAC[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCc1nnc([C@]23CCO[C@H]2CCN(C(=O)c2ccncn2)C3)o1
InChIInChI=1S/C15H17N5O3/c1-10-18-19-14(23-10)15-4-7-22-12(15)3-6-20(8-15)13(21)11-2-5-16-9-17-11/h2,5,9,12H,3-4,6-8H2,1H3/t12-,15-/m0/s1
InChIKeyGAVPYOXJYHJNJA-WFASDCNBSA-N
MW315.33 g/mol
LogP0.74
Rot. Bonds2

About [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 124806526) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID124806526
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCc1nnc([C@]23CCO[C@H]2CCN(C(=O)c2ccncn2)C3)o1
InChIInChI=1S/C15H17N5O3/c1-10-18-19-14(23-10)15-4-7-22-12(15)3-6-20(8-15)13(21)11-2-5-16-9-17-11/h2,5,9,12H,3-4,6-8H2,1H3/t12-,15-/m0/s1
InChIKeyGAVPYOXJYHJNJA-WFASDCNBSA-N
XLogP0.74
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3aS,7aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97422692
[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97474316
[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97486292
[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97949893
[(2S,3aR,6aR)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 124809113
[(3aR,7aS)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 124813054
2-[3-(5-Isopropyl-1,3,4-oxadiazol-2-YL)-8-(4-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]dec-2-YL]-N,N-dimethylacetamide
CID 146067227
[(3AR,7AR)-2-Cyclopentyl-7A-(5-methyl-1,3,4-oxadiazol-2-YL)octahydro-5H-pyrrolo[3,4-C]pyridin-5-YL](4-pyrimidinyl)methanone
CID 146068636
2-[3-(5-Isopropyl-1,3,4-oxadiazol-2-YL)-8-(4-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]dec-2-YL]-1-piperidino-1-ethanone
CID 146070797
2-[3-(5-Isopropyl-1,3,4-oxadiazol-2-YL)-8-(4-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]dec-2-YL]-1-morpholino-1-ethanone
CID 146070820
2-Oxa-9-azaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 154787258
[2-Cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 171150125

Frequently Asked Questions

What is the IUPAC name of [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (CID 124806526) is [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is Cc1nnc([C@]23CCO[C@H]2CCN(C(=O)c2ccncn2)C3)o1.
What is the InChIKey of [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is GAVPYOXJYHJNJA-WFASDCNBSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10-18-19-14(23-10)15-4-7-22-12(15)3-6-20(8-15)13(21)11-2-5-16-9-17-11/h2,5,9,12H,3-4,6-8H2,1H3/t12-,15-/m0/s1.
What are the key properties of [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 315.33 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 124806526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).