5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole

C16H16N4O — CID 106422528

IUPAC5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESc1cc2c(c(-c3cncn3Cc3ccno3)c1)NCCC2
InChIInChI=1S/C16H16N4O/c1-3-12-4-2-7-18-16(12)14(5-1)15-9-17-11-20(15)10-13-6-8-19-21-13/h1,3,5-6,8-9,11,18H,2,4,7,10H2
InChIKeyVSPZLLCFCZEOBG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.94
Rot. Bonds3

About 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole

5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 106422528) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID106422528
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESc1cc2c(c(-c3cncn3Cc3ccno3)c1)NCCC2
InChIInChI=1S/C16H16N4O/c1-3-12-4-2-7-18-16(12)14(5-1)15-9-17-11-20(15)10-13-6-8-19-21-13/h1,3,5-6,8-9,11,18H,2,4,7,10H2
InChIKeyVSPZLLCFCZEOBG-UHFFFAOYSA-N
XLogP2.94
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 106422528) is 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole is c1cc2c(c(-c3cncn3Cc3ccno3)c1)NCCC2.
What is the InChIKey of 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is VSPZLLCFCZEOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-12-4-2-7-18-16(12)14(5-1)15-9-17-11-20(15)10-13-6-8-19-21-13/h1,3,5-6,8-9,11,18H,2,4,7,10H2.
What are the key properties of 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole?
5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 280.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 106422528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).