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

C8H6ClN3OS — CID 103525449

IUPAC2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2ccnc(Cl)n2)n1
InChIInChI=1S/C8H6ClN3OS/c1-5-4-13-8(11-5)14-6-2-3-10-7(9)12-6/h2-4H,1H3
InChIKeyAMGNNRXYDQPKJR-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.58
Rot. Bonds2

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

2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 103525449) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID103525449
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2ccnc(Cl)n2)n1
InChIInChI=1S/C8H6ClN3OS/c1-5-4-13-8(11-5)14-6-2-3-10-7(9)12-6/h2-4H,1H3
InChIKeyAMGNNRXYDQPKJR-UHFFFAOYSA-N
XLogP2.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 100705598
2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923407
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923484
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923496
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923555
5-fluoro-N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928448
5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928449
5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928514
[5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 106928815

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (CID 103525449) is 2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is Cc1coc(Sc2ccnc(Cl)n2)n1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is AMGNNRXYDQPKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c1-5-4-13-8(11-5)14-6-2-3-10-7(9)12-6/h2-4H,1H3.
What are the key properties of 2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
2-(2-chloropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 227.68 g/mol, XLogP of 2.58, 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-4-methyl-1,3-oxazole is sourced from PubChem (CID 103525449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).