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

C25H11N9O3S3 — CID 141007723

IUPAC4-[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
SMILESc1coc(-c2cc3nc(-c4csnn4)c(-c4conn4)c(-c4ccsn4)c3c(-c3nccs3)c2-c2ccon2)n1
InChIInChI=1S/C25H11N9O3S3/c1-5-36-31-13(1)18-12(24-26-3-6-35-24)9-15-20(22(18)25-27-4-8-38-25)19(14-2-7-39-32-14)21(16-10-37-33-29-16)23(28-15)17-11-40-34-30-17/h1-11H
InChIKeyBGZKKKIRDBWKMJ-UHFFFAOYSA-N
MW581.62 g/mol
LogP6.36
Rot. Bonds6

About 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

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 (PubChem CID 141007723) has the molecular formula C25H11N9O3S3 and a molecular weight of 581.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID141007723
Molecular FormulaC25H11N9O3S3
Molecular Weight581.62 g/mol
Exact Mass581.01
IUPAC Name4-[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
SMILESc1coc(-c2cc3nc(-c4csnn4)c(-c4conn4)c(-c4ccsn4)c3c(-c3nccs3)c2-c2ccon2)n1
InChIInChI=1S/C25H11N9O3S3/c1-5-36-31-13(1)18-12(24-26-3-6-35-24)9-15-20(22(18)25-27-4-8-38-25)19(14-2-7-39-32-14)21(16-10-37-33-29-16)23(28-15)17-11-40-34-30-17/h1-11H
InChIKeyBGZKKKIRDBWKMJ-UHFFFAOYSA-N
XLogP6.36
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500581.62
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
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
4-[4-(1,2-Oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole
CID 141196717
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-[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
2-[3-(1,3-Benzothiazol-2-yl)-2-(1,2-benzoxazol-3-yl)-4-cinnolin-3-yl-6-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-4-(1,2-thiazol-3-yl)cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 141373171
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1coc(-c2cc3nc(-c4csnn4)c(-c4conn4)c(-c4ccsn4)c3c(-c3nccs3)c2-c2ccon2)n1.
What is the InChIKey of 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?
The InChIKey is BGZKKKIRDBWKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H11N9O3S3/c1-5-36-31-13(1)18-12(24-26-3-6-35-24)9-15-20(22(18)25-27-4-8-38-25)19(14-2-7-39-32-14)21(16-10-37-33-29-16)23(28-15)17-11-40-34-30-17/h1-11H.
What are the key properties of 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?
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 has a molecular weight of 581.62 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141007723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).