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

C18H10N2O2S — CID 17867

IUPAC2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4nc5ccccc5o4)s3)nc2c1
InChIInChI=1S/C18H10N2O2S/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/h1-10H
InChIKeyUGFSLKRMHPGLFU-UHFFFAOYSA-N
MW318.36 g/mol
LogP5.36
Rot. Bonds2

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

2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole (PubChem CID 17867) has the molecular formula C18H10N2O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
PubChem CID17867
Molecular FormulaC18H10N2O2S
Molecular Weight318.36 g/mol
Exact Mass318.05
IUPAC Name2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4nc5ccccc5o4)s3)nc2c1
InChIInChI=1S/C18H10N2O2S/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/h1-10H
InChIKeyUGFSLKRMHPGLFU-UHFFFAOYSA-N
XLogP5.36
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Fluorescent brightener 184
CID 292429
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
3,3'-Diethyloxacarbocyanine iodide
CID 6538326
3,3'-Diethyloxadicarbocyanine iodide
CID 5702692
2-((2-(1,3-Benzothiazol-2-ylsulfonyl)ethyl)thio)-1,3-benzoxazole
CID 1319216
3-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylpropanamide
CID 714637
Benzoxazolium, 3-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, hydrate (1:1:2)
CID 135490442
3,3'-Diethyloxatricarbocyanine iodide
CID 5702695
Benzoxazolium, 3-hexyl-2-[3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
CID 5702702
3,3'-Dihexyl-2,2'-oxacarbocyanine
CID 5702703
C3-oxacyanine cation
CID 5474841
N-(2-phenyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide
CID 401588

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole (CID 17867) is 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole is c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)s3)nc2c1.
What is the InChIKey of 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The InChIKey is UGFSLKRMHPGLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O2S/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/h1-10H.
What are the key properties of 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole has a molecular weight of 318.36 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 17867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).