6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole

C15H15NOS — CID 135062583

IUPAC6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2nc(-c3cccs3)oc2c1
InChIInChI=1S/C15H15NOS/c1-15(2,3)10-6-7-11-12(9-10)17-14(16-11)13-5-4-8-18-13/h4-9H,1-3H3
InChIKeyGHBNIHWVGSKCHZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.85
Rot. Bonds1

About 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole

6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole (PubChem CID 135062583) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
PubChem CID135062583
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2nc(-c3cccs3)oc2c1
InChIInChI=1S/C15H15NOS/c1-15(2,3)10-6-7-11-12(9-10)17-14(16-11)13-5-4-8-18-13/h4-9H,1-3H3
InChIKeyGHBNIHWVGSKCHZ-UHFFFAOYSA-N
XLogP4.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole?
The IUPAC name of 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole (CID 135062583) is 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole is CC(C)(C)c1ccc2nc(-c3cccs3)oc2c1.
What is the InChIKey of 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole?
The InChIKey is GHBNIHWVGSKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-15(2,3)10-6-7-11-12(9-10)17-14(16-11)13-5-4-8-18-13/h4-9H,1-3H3.
What are the key properties of 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole?
6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole has a molecular weight of 257.36 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 135062583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).