2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C32H38Br2N2O2S2 — CID 102237181

IUPAC2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESCCCCC(CC)Cc1cc(Br)sc1-c1nc2cc3oc(-c4sc(Br)cc4CC(CC)CCCC)nc3cc2o1
InChIInChI=1S/C32H38Br2N2O2S2/c1-5-9-11-19(7-3)13-21-15-27(33)39-29(21)31-35-23-17-26-24(18-25(23)37-31)36-32(38-26)30-22(16-28(34)40-30)14-20(8-4)12-10-6-2/h15-20H,5-14H2,1-4H3
InChIKeyNKSJAPGXPYONEP-UHFFFAOYSA-N
MW706.61 g/mol
LogP12.47
Rot. Bonds14

About 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole

2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 102237181) has the molecular formula C32H38Br2N2O2S2 and a molecular weight of 706.61 g/mol. Its IUPAC name is 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID102237181
Molecular FormulaC32H38Br2N2O2S2
Molecular Weight706.61 g/mol
Exact Mass704.07
IUPAC Name2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESCCCCC(CC)Cc1cc(Br)sc1-c1nc2cc3oc(-c4sc(Br)cc4CC(CC)CCCC)nc3cc2o1
InChIInChI=1S/C32H38Br2N2O2S2/c1-5-9-11-19(7-3)13-21-15-27(33)39-29(21)31-35-23-17-26-24(18-25(23)37-31)36-32(38-26)30-22(16-28(34)40-30)14-20(8-4)12-10-6-2/h15-20H,5-14H2,1-4H3
InChIKeyNKSJAPGXPYONEP-UHFFFAOYSA-N
XLogP12.47
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.61
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][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

3,6-bis[5-bromo-4-(2-ethylhexyl)thiophen-2-yl]-1,2,4,5-tetrazine
CID 102264975
2,5-bis[5-bromo-4-(2-ethylhexyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 132564189
2,6-bis(5-bromo-4-dodecylthiophen-2-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 90407301
4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 58289200
2,5-bis[5-bromo-3-(2-ethylhexoxy)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102360479
5-bromo-4-(2-ethylhexyl)thiophene-2-carbaldehyde
CID 122510135
2,6-dibromo-4,8-bis[5-(2-ethyloctyl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 155668259
1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
2,4,6-tris(5-bromo-3-hexylthiophen-2-yl)-1,3,5-triazine
CID 122229494
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
[(2R)-2-ethylhexyl]-tris[(2S)-2-ethylhexyl]silane
CID 99771332
5-bromo-2-[5-[5-bromo-3-[(2S)-2-methylbutyl]thiophen-2-yl]thiophen-2-yl]-3-[(2S)-2-methylbutyl]thiophene
CID 71403239

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 102237181) is 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole is CCCCC(CC)Cc1cc(Br)sc1-c1nc2cc3oc(-c4sc(Br)cc4CC(CC)CCCC)nc3cc2o1.
What is the InChIKey of 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is NKSJAPGXPYONEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Br2N2O2S2/c1-5-9-11-19(7-3)13-21-15-27(33)39-29(21)31-35-23-17-26-24(18-25(23)37-31)36-32(38-26)30-22(16-28(34)40-30)14-20(8-4)12-10-6-2/h15-20H,5-14H2,1-4H3.
What are the key properties of 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 706.61 g/mol, XLogP of 12.47, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[5-bromo-3-(2-ethylhexyl)thiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 102237181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).