2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole

C7H3ClFN3OS — CID 106923407

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESFc1cnc(Cl)nc1Sc1ncco1
InChIInChI=1S/C7H3ClFN3OS/c8-6-11-3-4(9)5(12-6)14-7-10-1-2-13-7/h1-3H
InChIKeyXAKQCFVKOWNLEC-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.41
Rot. Bonds2

About 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 106923407) has the molecular formula C7H3ClFN3OS and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID106923407
Molecular FormulaC7H3ClFN3OS
Molecular Weight231.64 g/mol
Exact Mass230.97
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESFc1cnc(Cl)nc1Sc1ncco1
InChIInChI=1S/C7H3ClFN3OS/c8-6-11-3-4(9)5(12-6)14-7-10-1-2-13-7/h1-3H
InChIKeyXAKQCFVKOWNLEC-UHFFFAOYSA-N
XLogP2.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923333
2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923484
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928238
5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928252
5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928253
6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928260
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320
N-ethyl-5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928349
5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928514
[5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine
CID 106928759

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole (CID 106923407) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole is Fc1cnc(Cl)nc1Sc1ncco1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is XAKQCFVKOWNLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3OS/c8-6-11-3-4(9)5(12-6)14-7-10-1-2-13-7/h1-3H.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 231.64 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 106923407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).