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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Related Compounds

2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314270
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
thiophene;2-thiophen-2-yl-1,3-benzoxazole
CID 174523834
5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
CID 102366712
3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one
CID 67465258
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
5-propan-2-yl-2-thiophen-2-yl-1,3-benzoxazol-7-amine
CID 82095460
2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-5-methyl-1,3-benzoxazole
CID 129038043
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
2-(2,6-ditert-butylnaphthalen-1-yl)thiophene
CID 169050425
5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
CID 18381170

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).