thiophene;2-thiophen-2-yl-1,3-benzoxazole

C15H11NOS2 — CID 174523834

IUPACthiophene;2-thiophen-2-yl-1,3-benzoxazole
SMILESc1ccsc1.c1csc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C11H7NOS.C4H4S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-5-3-1/h1-7H;1-4H
InChIKeyWQLWXPNHCMRUEY-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.30
Rot. Bonds1

About thiophene;2-thiophen-2-yl-1,3-benzoxazole

thiophene;2-thiophen-2-yl-1,3-benzoxazole (PubChem CID 174523834) has the molecular formula C15H11NOS2 and a molecular weight of 285.39 g/mol. Its IUPAC name is thiophene;2-thiophen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Namethiophene;2-thiophen-2-yl-1,3-benzoxazole
PubChem CID174523834
Molecular FormulaC15H11NOS2
Molecular Weight285.39 g/mol
Exact Mass285.03
IUPAC Namethiophene;2-thiophen-2-yl-1,3-benzoxazole
SMILESc1ccsc1.c1csc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C11H7NOS.C4H4S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-5-3-1/h1-7H;1-4H
InChIKeyWQLWXPNHCMRUEY-UHFFFAOYSA-N
XLogP5.30
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
CID 102366712
thiophene;2-thiophen-2-ylthiophene
CID 158809122
6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
CID 135062583
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
5-(1,3-benzoxazol-2-yl)thiophene-3-carbonitrile
CID 126512961
(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol
CID 54527249
3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one
CID 67465258
[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380723

Frequently Asked Questions

What is the IUPAC name of thiophene;2-thiophen-2-yl-1,3-benzoxazole?
The IUPAC name of thiophene;2-thiophen-2-yl-1,3-benzoxazole (CID 174523834) is thiophene;2-thiophen-2-yl-1,3-benzoxazole.
What is the SMILES notation for thiophene;2-thiophen-2-yl-1,3-benzoxazole?
The canonical SMILES for thiophene;2-thiophen-2-yl-1,3-benzoxazole is c1ccsc1.c1csc(-c2nc3ccccc3o2)c1.
What is the InChIKey of thiophene;2-thiophen-2-yl-1,3-benzoxazole?
The InChIKey is WQLWXPNHCMRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS.C4H4S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-5-3-1/h1-7H;1-4H.
What are the key properties of thiophene;2-thiophen-2-yl-1,3-benzoxazole?
thiophene;2-thiophen-2-yl-1,3-benzoxazole has a molecular weight of 285.39 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene;2-thiophen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 174523834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).