2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole

C7H4ClN3OS — CID 106898491

IUPAC2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESClc1nccc(Sc2ncco2)n1
InChIInChI=1S/C7H4ClN3OS/c8-6-9-2-1-5(11-6)13-7-10-3-4-12-7/h1-4H
InChIKeyQLIGSPAFIBGILU-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.27
Rot. Bonds2

About 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole

2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 106898491) has the molecular formula C7H4ClN3OS and a molecular weight of 213.65 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID106898491
Molecular FormulaC7H4ClN3OS
Molecular Weight213.65 g/mol
Exact Mass212.98
IUPAC Name2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESClc1nccc(Sc2ncco2)n1
InChIInChI=1S/C7H4ClN3OS/c8-6-9-2-1-5(11-6)13-7-10-3-4-12-7/h1-4H
InChIKeyQLIGSPAFIBGILU-UHFFFAOYSA-N
XLogP2.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole (CID 106898491) is 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole is Clc1nccc(Sc2ncco2)n1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is QLIGSPAFIBGILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3OS/c8-6-9-2-1-5(11-6)13-7-10-3-4-12-7/h1-4H.
What are the key properties of 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole?
2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 213.65 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 106898491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).