5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine

C28H18N10O2S3 — CID 141167412

IUPAC5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
SMILESc1cnc(C2(c3nccs3)N(c3cccnn3)C(c3ccsn3)(c3cccs3)OC2(c2cnccn2)c2ccon2)nc1
InChIInChI=1S/C28H18N10O2S3/c1-5-23(35-34-10-1)38-26(25-33-13-17-42-25,24-31-8-3-9-32-24)27(19-6-14-39-36-19,21-18-29-11-12-30-21)40-28(38,20-7-16-43-37-20)22-4-2-15-41-22/h1-18H
InChIKeyDPVPQOMPXZYDHS-UHFFFAOYSA-N
MW622.72 g/mol
LogP4.64
Rot. Bonds7

About 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine

5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine (PubChem CID 141167412) has the molecular formula C28H18N10O2S3 and a molecular weight of 622.72 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
PubChem CID141167412
Molecular FormulaC28H18N10O2S3
Molecular Weight622.72 g/mol
Exact Mass622.08
IUPAC Name5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
SMILESc1cnc(C2(c3nccs3)N(c3cccnn3)C(c3ccsn3)(c3cccs3)OC2(c2cnccn2)c2ccon2)nc1
InChIInChI=1S/C28H18N10O2S3/c1-5-23(35-34-10-1)38-26(25-33-13-17-42-25,24-31-8-3-9-32-24)27(19-6-14-39-36-19,21-18-29-11-12-30-21)40-28(38,20-7-16-43-37-20)22-4-2-15-41-22/h1-18H
InChIKeyDPVPQOMPXZYDHS-UHFFFAOYSA-N
XLogP4.64
TPSA141.62 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.72
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine with MolForge

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Launch Full Analysis

Related Compounds

2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
CID 141008871
4-[5-(1,2-Oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-thiophen-2-ylimidazolidin-2-yl]oxadiazole
CID 141422634
Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(2-methylpyridine);3-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 159261866

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine?
The IUPAC name of 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine (CID 141167412) is 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine.
What is the SMILES notation for 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine?
The canonical SMILES for 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine is c1cnc(C2(c3nccs3)N(c3cccnn3)C(c3ccsn3)(c3cccs3)OC2(c2cnccn2)c2ccon2)nc1.
What is the InChIKey of 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine?
The InChIKey is DPVPQOMPXZYDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N10O2S3/c1-5-23(35-34-10-1)38-26(25-33-13-17-42-25,24-31-8-3-9-32-24)27(19-6-14-39-36-19,21-18-29-11-12-30-21)40-28(38,20-7-16-43-37-20)22-4-2-15-41-22/h1-18H.
What are the key properties of 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine?
5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 622.72 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 141167412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).