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

C17H25N5O2 — CID 167760832

IUPAC5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)(C)c1nnc(CN2CCc3[nH]cnc3C23CCOCC3)o1
InChIInChI=1S/C17H25N5O2/c1-16(2,3)15-21-20-13(24-15)10-22-7-4-12-14(19-11-18-12)17(22)5-8-23-9-6-17/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyOPTXSXPYUKJTOU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.15
Rot. Bonds2

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

5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 167760832) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[(5-tert-butyl-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-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID167760832
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)(C)c1nnc(CN2CCc3[nH]cnc3C23CCOCC3)o1
InChIInChI=1S/C17H25N5O2/c1-16(2,3)15-21-20-13(24-15)10-22-7-4-12-14(19-11-18-12)17(22)5-8-23-9-6-17/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyOPTXSXPYUKJTOU-UHFFFAOYSA-N
XLogP2.15
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 136562981
CID 136562981
CID 72932585
CID 72932585
CID 97285228
CID 97285228
CID 97285229
CID 97285229
CID 136562978
CID 136562978
CID 136562979
CID 136562979
CID 137946720
CID 137946720
CID 138025112
CID 138025112
CID 138025113
CID 138025113
CID 146109734
CID 146109734
CID 146139009
CID 146139009
CID 146139013
CID 146139013

Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-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-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 167760832) is 5-[(5-tert-butyl-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-tert-butyl-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-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is CC(C)(C)c1nnc(CN2CCc3[nH]cnc3C23CCOCC3)o1.
What is the InChIKey of 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is OPTXSXPYUKJTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-16(2,3)15-21-20-13(24-15)10-22-7-4-12-14(19-11-18-12)17(22)5-8-23-9-6-17/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-[(5-tert-butyl-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 331.42 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-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 167760832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).