2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole

C29H16N6O2S3 — CID 141223362

IUPAC2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole
SMILESc1c[nH]c(-c2nc3cc(-c4cccs4)c(-c4ccon4)c(-c4nccs4)c3c(-c3ncco3)c2-c2ccsn2)c1
InChIInChI=1S/C29H16N6O2S3/c1-3-19(30-7-1)27-24(18-6-13-40-35-18)25(28-31-8-11-36-28)23-20(33-27)15-16(21-4-2-12-38-21)22(17-5-10-37-34-17)26(23)29-32-9-14-39-29/h1-15,30H
InChIKeyFHXZFPJBRUBIBB-UHFFFAOYSA-N
MW576.69 g/mol
LogP8.52
Rot. Bonds6

About 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole

2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole (PubChem CID 141223362) has the molecular formula C29H16N6O2S3 and a molecular weight of 576.69 g/mol. Its IUPAC name is 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole
PubChem CID141223362
Molecular FormulaC29H16N6O2S3
Molecular Weight576.69 g/mol
Exact Mass576.05
IUPAC Name2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole
SMILESc1c[nH]c(-c2nc3cc(-c4cccs4)c(-c4ccon4)c(-c4nccs4)c3c(-c3ncco3)c2-c2ccsn2)c1
InChIInChI=1S/C29H16N6O2S3/c1-3-19(30-7-1)27-24(18-6-13-40-35-18)25(28-31-8-11-36-28)23-20(33-27)15-16(21-4-2-12-38-21)22(17-5-10-37-34-17)26(23)29-32-9-14-39-29/h1-15,30H
InChIKeyFHXZFPJBRUBIBB-UHFFFAOYSA-N
XLogP8.52
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.69
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole with MolForge

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Related Compounds

4-[6-(1,2-Oxazol-3-yl)-7-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)quinolin-3-yl]oxadiazole
CID 141007723
3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole
CID 141047470
3-[2-(1,2-Benzothiazol-3-yl)-3-(1,3-benzothiazol-2-yl)-4-(1-benzothiophen-2-yl)-6-(1,3-oxazol-2-yl)quinolin-5-yl]-1,2-benzoxazole
CID 141170663
3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
CID 141179562
2-[3-(1,3-benzothiazol-2-yl)-8-(furan-2-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141193689
2-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-quinolin-2-yl-4-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,3-oxazole
CID 141223338
2-[7-(1,2-oxazol-3-yl)-3,8-bis(1H-pyrrol-2-yl)-1-quinolin-2-yl-4-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)isoquinolin-5-yl]-1,3-oxazole
CID 141223350
2-[5-(1-benzofuran-2-yl)-6-(1,2-oxazol-3-yl)-7-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole
CID 141270523
4-[7-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)quinolin-5-yl]oxadiazole
CID 141374333
4-[5-(1,3-oxazol-2-yl)-3,8-bis(1H-pyrrol-2-yl)-1-quinolin-2-yl-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)isoquinolin-6-yl]oxadiazole
CID 141374335
2-[2-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1,3-oxazole
CID 174810116

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole (CID 141223362) is 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole is c1c[nH]c(-c2nc3cc(-c4cccs4)c(-c4ccon4)c(-c4nccs4)c3c(-c3ncco3)c2-c2ccsn2)c1.
What is the InChIKey of 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole?
The InChIKey is FHXZFPJBRUBIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16N6O2S3/c1-3-19(30-7-1)27-24(18-6-13-40-35-18)25(28-31-8-11-36-28)23-20(33-27)15-16(21-4-2-12-38-21)22(17-5-10-37-34-17)26(23)29-32-9-14-39-29/h1-15,30H.
What are the key properties of 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole?
2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole has a molecular weight of 576.69 g/mol, XLogP of 8.52, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141223362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).