tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)

C147H161N7O8S6 — CID 157204477

IUPACtris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)
SMILESCC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1csc2ccccc12
InChIInChI=1S/5C11H12O.2C11H12S.3C10H11NO.4C10H11NS/c3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h7*3-8H,1-2H3;7*3-7H,1-2H3
InChIKeyARENQDAFSIPXJH-UHFFFAOYSA-N
MW2346.35 g/mol
LogP48.36
Rot. Bonds14

About tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)

tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole) (PubChem CID 157204477) has the molecular formula C147H161N7O8S6 and a molecular weight of 2346.35 g/mol. Its IUPAC name is tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole).

Molecular Properties

Compound Nametris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)
PubChem CID157204477
Molecular FormulaC147H161N7O8S6
Molecular Weight2346.35 g/mol
Exact Mass2344.07
IUPAC Nametris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)
SMILESCC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1csc2ccccc12
InChIInChI=1S/5C11H12O.2C11H12S.3C10H11NO.4C10H11NS/c3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h7*3-8H,1-2H3;7*3-7H,1-2H3
InChIKeyARENQDAFSIPXJH-UHFFFAOYSA-N
XLogP48.36
TPSA195.35 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002346.35
LogP ≤ 548.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene
CID 157127380
Benzo[g][1,3]benzoxazole;6-fluoro-1,3-benzoxazole;2-(methoxymethyl)-1,3-benzoxazole;2-(4-methoxyphenyl)-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-6-phenyl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-propan-2-yl-1,3-benzoxazole;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole;2,5,6-trimethyl-1,3-benzoxazole
CID 157837042
Benzo[g][1,3]benzothiazol-2-yl-dimethyl-(8-methylnaphthalen-2-yl)silane;benzo[g][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[g][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[g][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;benzo[g][1,3]benzoxazol-2-yl-dimethyl-phenylsilane;1,3-benzothiazol-2-yl-dimethyl-thiophen-3-ylsilane;(5-tert-butylthiophen-3-yl)-dimethyl-(6-methyl-1,3-benzothiazol-2-yl)silane;dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylthiophen-3-yl)silane
CID 157912259
5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole
CID 158300514
6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 158364458
methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 158586125
1,3-Benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane;dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane;dimethyl-thiophen-3-yl-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]silane;ethyl-methyl-(5-methylthiophen-3-yl)-(6-phenyl-1,3-benzoxazol-2-yl)silane;(5-ethylthiophen-3-yl)-dimethyl-[6-(4-propan-2-ylphenyl)-1,3-benzoxazol-2-yl]silane;furan-3-yl-dimethyl-(6-methyl-1,3-benzothiazol-2-yl)silane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylthiophen-3-yl)-phenylsilane
CID 159110073
Benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-2-ylsilane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-phenylsilane;[5,6-bis(trifluoromethyl)-1,3-benzothiazol-2-yl]-dimethyl-[4-(trifluoromethyl)phenyl]silane;(6,7-dimethyl-1,3-benzoxazol-2-yl)-dimethyl-(4-phenylphenyl)silane;dimethyl-(6-methyl-1,3-benzothiazol-2-yl)-naphthalen-1-ylsilane;dimethyl-naphthalen-2-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]silane;dimethyl-phenyl-(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)silane
CID 159201572
2-[9,10-Ditert-butyl-6-(5,6-dimethyl-1,3-benzothiazol-2-yl)anthracen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,7-dimethyl-1,3-benzothiazol-2-yl)anthracen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzothiazole;2-[1,5-dimethyl-6-(7-phenyl-1,3-benzoxazol-2-yl)anthracen-2-yl]-7-phenyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;6-phenyl-2-[5-(6-phenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-1,3-benzothiazole
CID 159683662
1,3-Benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane;dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane;dimethyl-thiophen-3-yl-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]silane;ethyl-methyl-(5-methylthiophen-3-yl)-(6-phenyl-1,3-benzoxazol-2-yl)silane;(5-ethylthiophen-3-yl)-dimethyl-(6-propan-2-yl-1,3-benzoxazol-2-yl)silane;furan-3-yl-dimethyl-(6-methyl-1,3-benzothiazol-2-yl)silane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylthiophen-3-yl)-phenylsilane
CID 160103034
6-Tert-butyl-2-[4-(6-tert-butyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-tert-butyl-2-[4-(6-tert-butyl-1,3-benzoxazol-2-yl)-2,5-diphenylphenyl]-1,3-benzoxazole;2-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[2,5-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methyl-1,3-benzothiazole;2-[2,5-dimethyl-4-(6-phenyl-1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzoxazole;6-methyl-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;6-phenyl-2-[4-(6-phenyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole
CID 160473332
6-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;7-methyl-2-propan-2-yl-1,3-benzoxazole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 160938776

Frequently Asked Questions

What is the IUPAC name of tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)?
The IUPAC name of tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole) (CID 157204477) is tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole).
What is the SMILES notation for tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)?
The canonical SMILES for tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole) is CC(C)c1cc2ccccc2s1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1csc2ccccc12.
What is the InChIKey of tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)?
The InChIKey is ARENQDAFSIPXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C11H12O.2C11H12S.3C10H11NO.4C10H11NS/c3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h7*3-8H,1-2H3;7*3-7H,1-2H3.
What are the key properties of tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole)?
tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole) has a molecular weight of 2346.35 g/mol, XLogP of 48.36, 14 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole) is sourced from PubChem (CID 157204477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).