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

C17H24N4O2 — CID 146139013

IUPAC5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)c1ocnc1CN1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C17H24N4O2/c1-12(2)15-14(20-11-23-15)9-21-6-3-13-16(19-10-18-13)17(21)4-7-22-8-5-17/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyQMJMRZFRLALXKY-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.59
Rot. Bonds3

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

5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 146139013) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID146139013
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCC(C)c1ocnc1CN1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C17H24N4O2/c1-12(2)15-14(20-11-23-15)9-21-6-3-13-16(19-10-18-13)17(21)4-7-22-8-5-17/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyQMJMRZFRLALXKY-UHFFFAOYSA-N
XLogP2.59
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 146139013) is 5-[(5-propan-2-yl-1,3-oxazol-4-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-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is CC(C)c1ocnc1CN1CCc2[nH]cnc2C12CCOCC2.
What is the InChIKey of 5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is QMJMRZFRLALXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)15-14(20-11-23-15)9-21-6-3-13-16(19-10-18-13)17(21)4-7-22-8-5-17/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 316.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 146139013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).