2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole

C7H4BrN3OS — CID 106898503

IUPAC2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole
SMILESBrc1cnc(Sc2ncco2)nc1
InChIInChI=1S/C7H4BrN3OS/c8-5-3-10-6(11-4-5)13-7-9-1-2-12-7/h1-4H
InChIKeyRLRGTJXVLXDAHM-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.38
Rot. Bonds2

About 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole

2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole (PubChem CID 106898503) has the molecular formula C7H4BrN3OS and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole
PubChem CID106898503
Molecular FormulaC7H4BrN3OS
Molecular Weight258.10 g/mol
Exact Mass256.93
IUPAC Name2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole
SMILESBrc1cnc(Sc2ncco2)nc1
InChIInChI=1S/C7H4BrN3OS/c8-5-3-10-6(11-4-5)13-7-9-1-2-12-7/h1-4H
InChIKeyRLRGTJXVLXDAHM-UHFFFAOYSA-N
XLogP2.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
CID 106926441
2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 172684469
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid
CID 106921120
2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924193
5-(1,3-oxazol-2-ylsulfanyl)pyrazin-2-amine
CID 106928163
6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928339
4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 106928226
2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923363
N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106925785
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678514
3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 133374447

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole (CID 106898503) is 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole is Brc1cnc(Sc2ncco2)nc1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole?
The InChIKey is RLRGTJXVLXDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3OS/c8-5-3-10-6(11-4-5)13-7-9-1-2-12-7/h1-4H.
What are the key properties of 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole?
2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole has a molecular weight of 258.10 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 106898503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).