3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole

C15H13BrN2O — CID 173012807

IUPAC3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole
SMILESCC(C)c1conc1-c1cnc2ccccc2c1Br
InChIInChI=1S/C15H13BrN2O/c1-9(2)12-8-19-18-15(12)11-7-17-13-6-4-3-5-10(13)14(11)16/h3-9H,1-2H3
InChIKeyLRHRCGURTADMGB-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.78
Rot. Bonds2

About 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole

3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole (PubChem CID 173012807) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole
PubChem CID173012807
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole
SMILESCC(C)c1conc1-c1cnc2ccccc2c1Br
InChIInChI=1S/C15H13BrN2O/c1-9(2)12-8-19-18-15(12)11-7-17-13-6-4-3-5-10(13)14(11)16/h3-9H,1-2H3
InChIKeyLRHRCGURTADMGB-UHFFFAOYSA-N
XLogP4.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole (CID 173012807) is 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole is CC(C)c1conc1-c1cnc2ccccc2c1Br.
What is the InChIKey of 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole?
The InChIKey is LRHRCGURTADMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-9(2)12-8-19-18-15(12)11-7-17-13-6-4-3-5-10(13)14(11)16/h3-9H,1-2H3.
What are the key properties of 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole?
3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole has a molecular weight of 317.19 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoquinolin-3-yl)-4-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 173012807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).