2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole

C29H19N7O3S3 — CID 140993023

IUPAC2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESc1ccc(S2(c3ncccn3)(c3ccco3)(c3cccs3)C(c3ncco3)=NC(c3ccsn3)=C2c2ccon2)nc1
InChIInChI=1S/C29H19N7O3S3/c1-2-11-30-22(6-1)42(23-7-3-15-37-23,24-8-4-18-40-24,29-32-12-5-13-33-29)26(21-9-16-39-35-21)25(20-10-19-41-36-20)34-28(42)27-31-14-17-38-27/h1-19H
InChIKeyDEDQVACGHSMWGK-UHFFFAOYSA-N
MW609.72 g/mol
LogP7.36
Rot. Bonds7

About 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole

2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 140993023) has the molecular formula C29H19N7O3S3 and a molecular weight of 609.72 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID140993023
Molecular FormulaC29H19N7O3S3
Molecular Weight609.72 g/mol
Exact Mass609.07
IUPAC Name2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESc1ccc(S2(c3ncccn3)(c3ccco3)(c3cccs3)C(c3ncco3)=NC(c3ccsn3)=C2c2ccon2)nc1
InChIInChI=1S/C29H19N7O3S3/c1-2-11-30-22(6-1)42(23-7-3-15-37-23,24-8-4-18-40-24,29-32-12-5-13-33-29)26(21-9-16-39-35-21)25(20-10-19-41-36-20)34-28(42)27-31-14-17-38-27/h1-19H
InChIKeyDEDQVACGHSMWGK-UHFFFAOYSA-N
XLogP7.36
TPSA129.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500609.72
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole with MolForge

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Related Compounds

4-[4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-1-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-3H-thiadiazol-1-yl]oxadiazole
CID 141072062
1,2-Dimethylpyrrole;2-methylfuran;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;toluene
CID 157222204
cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole
CID 157364884
cyclopenta-1,3-diene;furan;bis(1,2-oxazole);1,3-oxazole;3H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157375052
furan;1H-imidazole;4H-imidazole;methane;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157529929
benzene;bis(cyclopenta-1,3-diene);ethane;furan;1,2,4-oxadiazole;bis(1,3,4-oxadiazole);1,2-oxazole;tris(1,3-oxazole);pyrazine;bis(pyridine);pyrimidine;bis(3H-pyrrole);1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 157759653
cyclopenta-1,3-diene;furan;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;bis(pyrimidine);2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;4H-triazole
CID 158098937
cyclopenta-1,3-diene;furan;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
CID 158174791
cyclopenta-1,3-diene;furan;bis(1,2-oxazole);1,3-oxazole;3H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;bis(1,2-thiazole);1,3-thiazole;thiophene
CID 158229591
cyclopenta-1,3-diene;furan;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;4H-triazole
CID 159199263
cyclopenta-1,3-diene;furan;methane;bis(1,2-oxazole);1,3-oxazole;3H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;bis(1,2-thiazole);1,3-thiazole;thiophene
CID 159419741
furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine
CID 159465240

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole (CID 140993023) is 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole is c1ccc(S2(c3ncccn3)(c3ccco3)(c3cccs3)C(c3ncco3)=NC(c3ccsn3)=C2c2ccon2)nc1.
What is the InChIKey of 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is DEDQVACGHSMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N7O3S3/c1-2-11-30-22(6-1)42(23-7-3-15-37-23,24-8-4-18-40-24,29-32-12-5-13-33-29)26(21-9-16-39-35-21)25(20-10-19-41-36-20)34-28(42)27-31-14-17-38-27/h1-19H.
What are the key properties of 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 609.72 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 140993023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).