4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole

C13H11NOS — CID 53486805

IUPAC4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2sccc2c1
InChIInChI=1S/C13H11NOS/c1-8-13(9(2)15-14-8)11-3-4-12-10(7-11)5-6-16-12/h3-7H,1-2H3
InChIKeyQIJGVBXFEUNYLQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.17
Rot. Bonds1

About 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole

4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 53486805) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID53486805
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2sccc2c1
InChIInChI=1S/C13H11NOS/c1-8-13(9(2)15-14-8)11-3-4-12-10(7-11)5-6-16-12/h3-7H,1-2H3
InChIKeyQIJGVBXFEUNYLQ-UHFFFAOYSA-N
XLogP4.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole (CID 53486805) is 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2sccc2c1.
What is the InChIKey of 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is QIJGVBXFEUNYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-8-13(9(2)15-14-8)11-3-4-12-10(7-11)5-6-16-12/h3-7H,1-2H3.
What are the key properties of 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole?
4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 229.30 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 53486805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).