4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole

C31H15N15O2S — CID 141374336

IUPAC4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole
SMILESc1cnc(-c2nc3c(-c4ncco4)c(-c4conn4)c(-c4csnn4)c(-c4ccnnn4)c3c(-c3cccnn3)c2-c2cnccn2)nc1
InChIInChI=1S/C31H15N15O2S/c1-3-16(40-37-7-1)22-25(18-13-32-9-10-33-18)29(30-34-5-2-6-35-30)39-28-26(22)21(17-4-8-38-44-41-17)24(20-15-49-46-43-20)23(19-14-48-45-42-19)27(28)31-36-11-12-47-31/h1-15H
InChIKeyBNIKBDQUIBABTE-UHFFFAOYSA-N
MW661.63 g/mol
LogP4.68
Rot. Bonds7

About 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole

4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole (PubChem CID 141374336) has the molecular formula C31H15N15O2S and a molecular weight of 661.63 g/mol. Its IUPAC name is 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole.

Molecular Properties

Compound Name4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole
PubChem CID141374336
Molecular FormulaC31H15N15O2S
Molecular Weight661.63 g/mol
Exact Mass661.13
IUPAC Name4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole
SMILESc1cnc(-c2nc3c(-c4ncco4)c(-c4conn4)c(-c4csnn4)c(-c4ccnnn4)c3c(-c3cccnn3)c2-c2cnccn2)nc1
InChIInChI=1S/C31H15N15O2S/c1-3-16(40-37-7-1)22-25(18-13-32-9-10-33-18)29(30-34-5-2-6-35-30)39-28-26(22)21(17-4-8-38-44-41-17)24(20-15-49-46-43-20)23(19-14-48-45-42-19)27(28)31-36-11-12-47-31/h1-15H
InChIKeyBNIKBDQUIBABTE-UHFFFAOYSA-N
XLogP4.68
TPSA219.63 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.63
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole with MolForge

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Related Compounds

2-[2-isoquinolin-1-yl-7-pyridin-2-yl-6-pyrimidin-2-yl-4-quinolin-2-yl-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)-2H-quinazolin-8-yl]-1,3-oxazole
CID 140994191
2-(5-Isoquinolin-1-yl-4-phthalazin-1-yl-6-quinolin-2-yl-2-quinoxalin-2-ylquinazolin-7-yl)-1,3-oxazole
CID 141006442
4-[5-(1,2-Oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole
CID 141196712

Frequently Asked Questions

What is the IUPAC name of 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole?
The IUPAC name of 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole (CID 141374336) is 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole.
What is the SMILES notation for 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole?
The canonical SMILES for 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole is c1cnc(-c2nc3c(-c4ncco4)c(-c4conn4)c(-c4csnn4)c(-c4ccnnn4)c3c(-c3cccnn3)c2-c2cnccn2)nc1.
What is the InChIKey of 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole?
The InChIKey is BNIKBDQUIBABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H15N15O2S/c1-3-16(40-37-7-1)22-25(18-13-32-9-10-33-18)29(30-34-5-2-6-35-30)39-28-26(22)21(17-4-8-38-44-41-17)24(20-15-49-46-43-20)23(19-14-48-45-42-19)27(28)31-36-11-12-47-31/h1-15H.
What are the key properties of 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole?
4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole has a molecular weight of 661.63 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole is sourced from PubChem (CID 141374336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).