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

C18H26N4O2 — CID 136562978

IUPAC5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)(C)c1cnc(CN2CCc3[nH]cnc3C23CCOCC3)o1
InChIInChI=1S/C18H26N4O2/c1-17(2,3)14-10-19-15(24-14)11-22-7-4-13-16(21-12-20-13)18(22)5-8-23-9-6-18/h10,12H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyFJNFRSZRDHDSGO-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.76
Rot. Bonds2

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

5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 136562978) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,3-oxazol-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-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID136562978
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)(C)c1cnc(CN2CCc3[nH]cnc3C23CCOCC3)o1
InChIInChI=1S/C18H26N4O2/c1-17(2,3)14-10-19-15(24-14)11-22-7-4-13-16(21-12-20-13)18(22)5-8-23-9-6-18/h10,12H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyFJNFRSZRDHDSGO-UHFFFAOYSA-N
XLogP2.76
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-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-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 136562978) is 5-[(5-tert-butyl-1,3-oxazol-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-oxazol-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-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is CC(C)(C)c1cnc(CN2CCc3[nH]cnc3C23CCOCC3)o1.
What is the InChIKey of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is FJNFRSZRDHDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-17(2,3)14-10-19-15(24-14)11-22-7-4-13-16(21-12-20-13)18(22)5-8-23-9-6-18/h10,12H,4-9,11H2,1-3H3,(H,20,21).
What are the key properties of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 330.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 136562978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).