2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole

C34H24N2OS2 — CID 141060639

IUPAC2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole
SMILESc1csc(-c2c(-c3cc4ccccc4s3)ccc(-c3nc4ccccc4o3)c2-c2cnc3c(c2)CCCC3)c1
InChIInChI=1S/C34H24N2OS2/c1-3-10-26-21(8-1)18-23(20-35-26)32-25(34-36-27-11-4-5-12-28(27)37-34)16-15-24(33(32)30-14-7-17-38-30)31-19-22-9-2-6-13-29(22)39-31/h2,4-7,9,11-20H,1,3,8,10H2
InChIKeyCWSNAMUVLHSUIR-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.05
Rot. Bonds4

About 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole

2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole (PubChem CID 141060639) has the molecular formula C34H24N2OS2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole
PubChem CID141060639
Molecular FormulaC34H24N2OS2
Molecular Weight540.71 g/mol
Exact Mass540.13
IUPAC Name2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole
SMILESc1csc(-c2c(-c3cc4ccccc4s3)ccc(-c3nc4ccccc4o3)c2-c2cnc3c(c2)CCCC3)c1
InChIInChI=1S/C34H24N2OS2/c1-3-10-26-21(8-1)18-23(20-35-26)32-25(34-36-27-11-4-5-12-28(27)37-34)16-15-24(33(32)30-14-7-17-38-30)31-19-22-9-2-6-13-29(22)39-31/h2,4-7,9,11-20H,1,3,8,10H2
InChIKeyCWSNAMUVLHSUIR-UHFFFAOYSA-N
XLogP10.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-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

2-[4-(Dibenzothiophen-4-yl)phenyl]benzoxazole
CID 67607725
2-[4-(2,8-Diphenyldibenzothiophen-4-yl)phenyl]benzoxazole
CID 67608627
2-Isoquinolin-5-yl-1,3-benzoxazole
CID 50970924
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
7-[(3-Ethyl-1-benzothiophen-6-yl)sulfanylmethyl]-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 142923098
5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665350
6-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665401
2,7-Bis(4-fluoro-5-quinolin-3-ylthiophen-2-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314110
2,7-Bis[6-(2,3,4,5,6-pentafluorophenyl)thieno[3,2-c]pyridin-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314127
[2-[7-[6-(2,3,4,5,6-Pentafluorobenzoyl)thieno[3,2-c]pyridin-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-2-yl]thieno[3,2-c]pyridin-6-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 169314148
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzothiophen-2-yl-2-N,7-N-bis(4-fluorophenyl)phenanthrene-2,7-diamine
CID 170266865
2-[3-methyl-2-(1-methylquinolin-1-ium-4-yl)-2H-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 91291264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole (CID 141060639) is 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole is c1csc(-c2c(-c3cc4ccccc4s3)ccc(-c3nc4ccccc4o3)c2-c2cnc3c(c2)CCCC3)c1.
What is the InChIKey of 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole?
The InChIKey is CWSNAMUVLHSUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2OS2/c1-3-10-26-21(8-1)18-23(20-35-26)32-25(34-36-27-11-4-5-12-28(27)37-34)16-15-24(33(32)30-14-7-17-38-30)31-19-22-9-2-6-13-29(22)39-31/h2,4-7,9,11-20H,1,3,8,10H2.
What are the key properties of 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole?
2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole has a molecular weight of 540.71 g/mol, XLogP of 10.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzothiophen-2-yl)-2-(5,6,7,8-tetrahydroquinolin-3-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole is sourced from PubChem (CID 141060639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).