5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole

C14H11NOS2 — CID 135044831

IUPAC5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(SCc2cnc(-c3cccs3)o2)cc1
InChIInChI=1S/C14H11NOS2/c1-2-5-12(6-3-1)18-10-11-9-15-14(16-11)13-7-4-8-17-13/h1-9H,10H2
InChIKeyRXYTXSHPTJFFJJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.70
Rot. Bonds4

About 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole

5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole (PubChem CID 135044831) has the molecular formula C14H11NOS2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole
PubChem CID135044831
Molecular FormulaC14H11NOS2
Molecular Weight273.38 g/mol
Exact Mass273.03
IUPAC Name5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(SCc2cnc(-c3cccs3)o2)cc1
InChIInChI=1S/C14H11NOS2/c1-2-5-12(6-3-1)18-10-11-9-15-14(16-11)13-7-4-8-17-13/h1-9H,10H2
InChIKeyRXYTXSHPTJFFJJ-UHFFFAOYSA-N
XLogP4.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole (CID 135044831) is 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole is c1ccc(SCc2cnc(-c3cccs3)o2)cc1.
What is the InChIKey of 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is RXYTXSHPTJFFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS2/c1-2-5-12(6-3-1)18-10-11-9-15-14(16-11)13-7-4-8-17-13/h1-9H,10H2.
What are the key properties of 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole?
5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 273.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylsulfanylmethyl)-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 135044831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).