4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole

C15H10ClFN2OS — CID 112815823

IUPAC4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2nc(CSc3ccc(Cl)cn3)co2)cc1
InChIInChI=1S/C15H10ClFN2OS/c16-11-3-6-14(18-7-11)21-9-13-8-20-15(19-13)10-1-4-12(17)5-2-10/h1-8H,9H2
InChIKeyVNWHFVOXHWAWOY-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.82
Rot. Bonds4

About 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole

4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole (PubChem CID 112815823) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
PubChem CID112815823
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC Name4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2nc(CSc3ccc(Cl)cn3)co2)cc1
InChIInChI=1S/C15H10ClFN2OS/c16-11-3-6-14(18-7-11)21-9-13-8-20-15(19-13)10-1-4-12(17)5-2-10/h1-8H,9H2
InChIKeyVNWHFVOXHWAWOY-UHFFFAOYSA-N
XLogP4.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole (CID 112815823) is 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole is Fc1ccc(-c2nc(CSc3ccc(Cl)cn3)co2)cc1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is VNWHFVOXHWAWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c16-11-3-6-14(18-7-11)21-9-13-8-20-15(19-13)10-1-4-12(17)5-2-10/h1-8H,9H2.
What are the key properties of 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole?
4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 320.78 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 112815823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).