bis(1,3-benzoxazole);thiophene

C18H14N2O2S — CID 68571342

IUPACbis(1,3-benzoxazole);thiophene
SMILESc1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccsc1
InChIInChI=1S/2C7H5NO.C4H4S/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1/h2*1-5H;1-4H
InChIKeyYLOAYKUQNHWISL-UHFFFAOYSA-N
MW322.39 g/mol
LogP5.40
Rot. Bonds

About bis(1,3-benzoxazole);thiophene

bis(1,3-benzoxazole);thiophene (PubChem CID 68571342) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is bis(1,3-benzoxazole);thiophene.

Molecular Properties

Compound Namebis(1,3-benzoxazole);thiophene
PubChem CID68571342
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Namebis(1,3-benzoxazole);thiophene
SMILESc1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccsc1
InChIInChI=1S/2C7H5NO.C4H4S/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1/h2*1-5H;1-4H
InChIKeyYLOAYKUQNHWISL-UHFFFAOYSA-N
XLogP5.40
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.39
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-benzoxazole);thiophene?
The IUPAC name of bis(1,3-benzoxazole);thiophene (CID 68571342) is bis(1,3-benzoxazole);thiophene.
What is the SMILES notation for bis(1,3-benzoxazole);thiophene?
The canonical SMILES for bis(1,3-benzoxazole);thiophene is c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccsc1.
What is the InChIKey of bis(1,3-benzoxazole);thiophene?
The InChIKey is YLOAYKUQNHWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5NO.C4H4S/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1/h2*1-5H;1-4H.
What are the key properties of bis(1,3-benzoxazole);thiophene?
bis(1,3-benzoxazole);thiophene has a molecular weight of 322.39 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-benzoxazole);thiophene is sourced from PubChem (CID 68571342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).