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

C18H20N4O2S — CID 164640142

IUPAC1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESc1csc(-c2nc(Cn3cnc4c3CCNC43CCOCC3)co2)c1
InChIInChI=1S/C18H20N4O2S/c1-2-15(25-9-1)17-21-13(11-24-17)10-22-12-19-16-14(22)3-6-20-18(16)4-7-23-8-5-18/h1-2,9,11-12,20H,3-8,10H2
InChIKeyYMFWHBRDURRCMA-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.80
Rot. Bonds3

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

1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 164640142) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID164640142
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESc1csc(-c2nc(Cn3cnc4c3CCNC43CCOCC3)co2)c1
InChIInChI=1S/C18H20N4O2S/c1-2-15(25-9-1)17-21-13(11-24-17)10-22-12-19-16-14(22)3-6-20-18(16)4-7-23-8-5-18/h1-2,9,11-12,20H,3-8,10H2
InChIKeyYMFWHBRDURRCMA-UHFFFAOYSA-N
XLogP2.80
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 164640142) is 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane].
What is the SMILES notation for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] is c1csc(-c2nc(Cn3cnc4c3CCNC43CCOCC3)co2)c1.
What is the InChIKey of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is YMFWHBRDURRCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-15(25-9-1)17-21-13(11-24-17)10-22-12-19-16-14(22)3-6-20-18(16)4-7-23-8-5-18/h1-2,9,11-12,20H,3-8,10H2.
What are the key properties of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]?
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 356.45 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 164640142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).