5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole

C15H12FN3OS — CID 8649369

IUPAC5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1c(CSc2ncccn2)noc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c1-10-13(9-21-15-17-7-2-8-18-15)19-20-14(10)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3
InChIKeyHUGSPVKQIMBTTA-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.87
Rot. Bonds4

About 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole

5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 8649369) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole
PubChem CID8649369
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1c(CSc2ncccn2)noc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c1-10-13(9-21-15-17-7-2-8-18-15)19-20-14(10)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3
InChIKeyHUGSPVKQIMBTTA-UHFFFAOYSA-N
XLogP3.87
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole (CID 8649369) is 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole is Cc1c(CSc2ncccn2)noc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is HUGSPVKQIMBTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-10-13(9-21-15-17-7-2-8-18-15)19-20-14(10)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole?
5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 301.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 8649369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).