4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole

C14H11BrN2O2 — CID 167788048

IUPAC4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole
SMILESCc1nc(COc2cnc3c(Br)cccc3c2)co1
InChIInChI=1S/C14H11BrN2O2/c1-9-17-11(7-18-9)8-19-12-5-10-3-2-4-13(15)14(10)16-6-12/h2-7H,8H2,1H3
InChIKeyQXMDJYLCHPDGJP-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.87
Rot. Bonds3

About 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole

4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole (PubChem CID 167788048) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole
PubChem CID167788048
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole
SMILESCc1nc(COc2cnc3c(Br)cccc3c2)co1
InChIInChI=1S/C14H11BrN2O2/c1-9-17-11(7-18-9)8-19-12-5-10-3-2-4-13(15)14(10)16-6-12/h2-7H,8H2,1H3
InChIKeyQXMDJYLCHPDGJP-UHFFFAOYSA-N
XLogP3.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole (CID 167788048) is 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole is Cc1nc(COc2cnc3c(Br)cccc3c2)co1.
What is the InChIKey of 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole?
The InChIKey is QXMDJYLCHPDGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-9-17-11(7-18-9)8-19-12-5-10-3-2-4-13(15)14(10)16-6-12/h2-7H,8H2,1H3.
What are the key properties of 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole?
4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole has a molecular weight of 319.16 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 167788048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).