2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole

C11H6BrN3OS — CID 106924192

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole
SMILESBrc1cnc2c(Sc3ncco3)ccnc2c1
InChIInChI=1S/C11H6BrN3OS/c12-7-5-8-10(15-6-7)9(1-2-13-8)17-11-14-3-4-16-11/h1-6H
InChIKeyITVULOBHAYJLRQ-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.53
Rot. Bonds2

About 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole

2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole (PubChem CID 106924192) has the molecular formula C11H6BrN3OS and a molecular weight of 308.16 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole
PubChem CID106924192
Molecular FormulaC11H6BrN3OS
Molecular Weight308.16 g/mol
Exact Mass306.94
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole
SMILESBrc1cnc2c(Sc3ncco3)ccnc2c1
InChIInChI=1S/C11H6BrN3OS/c12-7-5-8-10(15-6-7)9(1-2-13-8)17-11-14-3-4-16-11/h1-6H
InChIKeyITVULOBHAYJLRQ-UHFFFAOYSA-N
XLogP3.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole (CID 106924192) is 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole is Brc1cnc2c(Sc3ncco3)ccnc2c1.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole?
The InChIKey is ITVULOBHAYJLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3OS/c12-7-5-8-10(15-6-7)9(1-2-13-8)17-11-14-3-4-16-11/h1-6H.
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole?
2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole has a molecular weight of 308.16 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1,5-naphthyridin-4-yl)sulfanyl]-1,3-oxazole is sourced from PubChem (CID 106924192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).