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

C16H23N5O2 — CID 136562979

IUPAC5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)c1nc(CN2CCc3[nH]cnc3C23CCOCC3)no1
InChIInChI=1S/C16H23N5O2/c1-11(2)15-19-13(20-23-15)9-21-6-3-12-14(18-10-17-12)16(21)4-7-22-8-5-16/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyIZWTVTIISRCRSJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.98
Rot. Bonds3

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

5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 136562979) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID136562979
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)c1nc(CN2CCc3[nH]cnc3C23CCOCC3)no1
InChIInChI=1S/C16H23N5O2/c1-11(2)15-19-13(20-23-15)9-21-6-3-12-14(18-10-17-12)16(21)4-7-22-8-5-16/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyIZWTVTIISRCRSJ-UHFFFAOYSA-N
XLogP1.98
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-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-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 136562979) is 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].
What is the SMILES notation for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is CC(C)c1nc(CN2CCc3[nH]cnc3C23CCOCC3)no1.
What is the InChIKey of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is IZWTVTIISRCRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11(2)15-19-13(20-23-15)9-21-6-3-12-14(18-10-17-12)16(21)4-7-22-8-5-16/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 317.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 136562979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).