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

C14H10FN3OS — CID 47115087

IUPAC5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CSc3ncccn3)o2)cc1
InChIInChI=1S/C14H10FN3OS/c15-11-4-2-10(3-5-11)12-8-18-13(19-12)9-20-14-16-6-1-7-17-14/h1-8H,9H2
InChIKeyOKUQJDWGMGYGOW-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.56
Rot. Bonds4

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

5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 47115087) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole
PubChem CID47115087
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CSc3ncccn3)o2)cc1
InChIInChI=1S/C14H10FN3OS/c15-11-4-2-10(3-5-11)12-8-18-13(19-12)9-20-14-16-6-1-7-17-14/h1-8H,9H2
InChIKeyOKUQJDWGMGYGOW-UHFFFAOYSA-N
XLogP3.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole (CID 47115087) is 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole is Fc1ccc(-c2cnc(CSc3ncccn3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is OKUQJDWGMGYGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-11-4-2-10(3-5-11)12-8-18-13(19-12)9-20-14-16-6-1-7-17-14/h1-8H,9H2.
What are the key properties of 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole?
5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 287.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 47115087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).