2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole

C7H3Cl2N3OS — CID 172684469

IUPAC2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
SMILESClc1cc(Cl)nc(Sc2ncco2)n1
InChIInChI=1S/C7H3Cl2N3OS/c8-4-3-5(9)12-6(11-4)14-7-10-1-2-13-7/h1-3H
InChIKeyAVRUGUZWWLSQNY-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.92
Rot. Bonds2

About 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole

2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole (PubChem CID 172684469) has the molecular formula C7H3Cl2N3OS and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
PubChem CID172684469
Molecular FormulaC7H3Cl2N3OS
Molecular Weight248.09 g/mol
Exact Mass246.94
IUPAC Name2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
SMILESClc1cc(Cl)nc(Sc2ncco2)n1
InChIInChI=1S/C7H3Cl2N3OS/c8-4-3-5(9)12-6(11-4)14-7-10-1-2-13-7/h1-3H
InChIKeyAVRUGUZWWLSQNY-UHFFFAOYSA-N
XLogP2.92
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 106928226
2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 106898503
5-(1,3-oxazol-2-ylsulfanyl)pyrazin-2-amine
CID 106928163
1-[3-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 106923151
N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
CID 106926441
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
CID 106923671
6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928339
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
CID 136678514
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928369
2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923363

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole (CID 172684469) is 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole is Clc1cc(Cl)nc(Sc2ncco2)n1.
What is the InChIKey of 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole?
The InChIKey is AVRUGUZWWLSQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3OS/c8-4-3-5(9)12-6(11-4)14-7-10-1-2-13-7/h1-3H.
What are the key properties of 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole?
2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole has a molecular weight of 248.09 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 172684469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).