5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

C17H19N5O3 — CID 167795707

IUPAC5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESc1coc(-c2nnc(CN3CCc4[nH]cnc4C34CCOCC4)o2)c1
InChIInChI=1S/C17H19N5O3/c1-2-13(24-7-1)16-21-20-14(25-16)10-22-6-3-12-15(19-11-18-12)17(22)4-8-23-9-5-17/h1-2,7,11H,3-6,8-10H2,(H,18,19)
InChIKeyNTGNDDLLTNAMQQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.12
Rot. Bonds3

About 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 167795707) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID167795707
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESc1coc(-c2nnc(CN3CCc4[nH]cnc4C34CCOCC4)o2)c1
InChIInChI=1S/C17H19N5O3/c1-2-13(24-7-1)16-21-20-14(25-16)10-22-6-3-12-15(19-11-18-12)17(22)4-8-23-9-5-17/h1-2,7,11H,3-6,8-10H2,(H,18,19)
InChIKeyNTGNDDLLTNAMQQ-UHFFFAOYSA-N
XLogP2.12
TPSA93.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 167795707) is 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].
What is the SMILES notation for 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is c1coc(-c2nnc(CN3CCc4[nH]cnc4C34CCOCC4)o2)c1.
What is the InChIKey of 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is NTGNDDLLTNAMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-13(24-7-1)16-21-20-14(25-16)10-22-6-3-12-15(19-11-18-12)17(22)4-8-23-9-5-17/h1-2,7,11H,3-6,8-10H2,(H,18,19).
What are the key properties of 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 341.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 167795707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).