2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole

C18H12N2O2S — CID 59073135

IUPAC2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc2c(c1)NC(c1ccc(-c3nc4ccccc4o3)s1)O2
InChIInChI=1S/C18H12N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10,17,19H
InChIKeySJPFWMPOSTTZTG-UHFFFAOYSA-N
MW320.37 g/mol
LogP5.06
Rot. Bonds2

About 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole

2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole (PubChem CID 59073135) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
PubChem CID59073135
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc2c(c1)NC(c1ccc(-c3nc4ccccc4o3)s1)O2
InChIInChI=1S/C18H12N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10,17,19H
InChIKeySJPFWMPOSTTZTG-UHFFFAOYSA-N
XLogP5.06
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole (CID 59073135) is 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole is c1ccc2c(c1)NC(c1ccc(-c3nc4ccccc4o3)s1)O2.
What is the InChIKey of 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The InChIKey is SJPFWMPOSTTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10,17,19H.
What are the key properties of 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole has a molecular weight of 320.37 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 59073135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).