2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole

C22H13N7OS — CID 141180705

IUPAC2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole
SMILESc1cnc(-c2nc(-c3ccc4ccccc4n3)c(-c3nccs3)n2-c2ncco2)nc1
InChIInChI=1S/C22H13N7OS/c1-2-5-15-14(4-1)6-7-16(27-15)17-18(21-25-11-13-31-21)29(22-26-10-12-30-22)20(28-17)19-23-8-3-9-24-19/h1-13H
InChIKeyKICGMXADKAJUCQ-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.66
Rot. Bonds4

About 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole

2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole (PubChem CID 141180705) has the molecular formula C22H13N7OS and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole
PubChem CID141180705
Molecular FormulaC22H13N7OS
Molecular Weight423.46 g/mol
Exact Mass423.09
IUPAC Name2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole
SMILESc1cnc(-c2nc(-c3ccc4ccccc4n3)c(-c3nccs3)n2-c2ncco2)nc1
InChIInChI=1S/C22H13N7OS/c1-2-5-15-14(4-1)6-7-16(27-15)17-18(21-25-11-13-31-21)29(22-26-10-12-30-22)20(28-17)19-23-8-3-9-24-19/h1-13H
InChIKeyKICGMXADKAJUCQ-UHFFFAOYSA-N
XLogP4.66
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

US9670204, 40 N-(2-ethyl-6-(4-oxazol-2-ylmethyl)piperazin-1-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78428034
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 58541666
N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 58541818
N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 68200305
6-[[1-[2-[[4-Amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4-pyridinyl]pyridin-1-ium-3-yl]methyl]-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 90946857
5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine
CID 148548203
4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine
CID 149252158
benzene;ethane;2H-imidazo[1,2-a]pyridin-4-ium;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
CID 157210642
methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158284889
Benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinazoline;1,3-thiazole
CID 158313339
Benzene;ethane;imidazo[1,2-a]pyridine;methane;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
CID 159606194
Benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
CID 160553255

Frequently Asked Questions

What is the IUPAC name of 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole?
The IUPAC name of 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole (CID 141180705) is 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole is c1cnc(-c2nc(-c3ccc4ccccc4n3)c(-c3nccs3)n2-c2ncco2)nc1.
What is the InChIKey of 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole?
The InChIKey is KICGMXADKAJUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N7OS/c1-2-5-15-14(4-1)6-7-16(27-15)17-18(21-25-11-13-31-21)29(22-26-10-12-30-22)20(28-17)19-23-8-3-9-24-19/h1-13H.
What are the key properties of 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole?
2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole has a molecular weight of 423.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141180705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).