5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole

C16H13BrN2O2 — CID 167853385

IUPAC5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole
SMILESBrc1cc2ncccc2cc1OCc1cc(C2CC2)no1
InChIInChI=1S/C16H13BrN2O2/c17-13-8-14-11(2-1-5-18-14)6-16(13)20-9-12-7-15(19-21-12)10-3-4-10/h1-2,5-8,10H,3-4,9H2
InChIKeyAHNFPLDSEKYXCZ-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.44
Rot. Bonds4

About 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole

5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole (PubChem CID 167853385) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole
PubChem CID167853385
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole
SMILESBrc1cc2ncccc2cc1OCc1cc(C2CC2)no1
InChIInChI=1S/C16H13BrN2O2/c17-13-8-14-11(2-1-5-18-14)6-16(13)20-9-12-7-15(19-21-12)10-3-4-10/h1-2,5-8,10H,3-4,9H2
InChIKeyAHNFPLDSEKYXCZ-UHFFFAOYSA-N
XLogP4.44
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole?
The IUPAC name of 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole (CID 167853385) is 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole?
The canonical SMILES for 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole is Brc1cc2ncccc2cc1OCc1cc(C2CC2)no1.
What is the InChIKey of 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole?
The InChIKey is AHNFPLDSEKYXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13-8-14-11(2-1-5-18-14)6-16(13)20-9-12-7-15(19-21-12)10-3-4-10/h1-2,5-8,10H,3-4,9H2.
What are the key properties of 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole?
5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole has a molecular weight of 345.20 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 167853385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).