5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole

C14H10ClN3OS — CID 86819462

IUPAC5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole
SMILESClc1ccc(-c2cnc(SCc3ncccn3)o2)cc1
InChIInChI=1S/C14H10ClN3OS/c15-11-4-2-10(3-5-11)12-8-18-14(19-12)20-9-13-16-6-1-7-17-13/h1-8H,9H2
InChIKeyDHAZJKFXAGDRFU-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.08
Rot. Bonds4

About 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole

5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole (PubChem CID 86819462) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole
PubChem CID86819462
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole
SMILESClc1ccc(-c2cnc(SCc3ncccn3)o2)cc1
InChIInChI=1S/C14H10ClN3OS/c15-11-4-2-10(3-5-11)12-8-18-14(19-12)20-9-13-16-6-1-7-17-13/h1-8H,9H2
InChIKeyDHAZJKFXAGDRFU-UHFFFAOYSA-N
XLogP4.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole (CID 86819462) is 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole is Clc1ccc(-c2cnc(SCc3ncccn3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole?
The InChIKey is DHAZJKFXAGDRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-11-4-2-10(3-5-11)12-8-18-14(19-12)20-9-13-16-6-1-7-17-13/h1-8H,9H2.
What are the key properties of 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole?
5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole has a molecular weight of 303.77 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 86819462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).