3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole

C20H11N7O2S2 — CID 91378309

IUPAC3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESc1ccc(-c2csnc2-c2csc(-c3conc3-c3[nH]ncc3-c3ncco3)n2)nc1
InChIInChI=1S/C20H11N7O2S2/c1-2-4-21-14(3-1)13-9-31-27-16(13)15-10-30-20(24-15)12-8-29-26-18(12)17-11(7-23-25-17)19-22-5-6-28-19/h1-10H,(H,23,25)
InChIKeyDTWMHKIMMXRIOU-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.03
Rot. Bonds5

About 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole

3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 91378309) has the molecular formula C20H11N7O2S2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID91378309
Molecular FormulaC20H11N7O2S2
Molecular Weight445.49 g/mol
Exact Mass445.04
IUPAC Name3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESc1ccc(-c2csnc2-c2csc(-c3conc3-c3[nH]ncc3-c3ncco3)n2)nc1
InChIInChI=1S/C20H11N7O2S2/c1-2-4-21-14(3-1)13-9-31-27-16(13)15-10-30-20(24-15)12-8-29-26-18(12)17-11(7-23-25-17)19-22-5-6-28-19/h1-10H,(H,23,25)
InChIKeyDTWMHKIMMXRIOU-UHFFFAOYSA-N
XLogP5.03
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole with MolForge

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Related Compounds

2-[2-[2-[3-[4-(1H-pyrazol-5-yl)-1,2-thiazol-5-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-oxazole
CID 136654843
2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole
CID 140971284
2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole
CID 141010158
2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 141026719
2-[1-(4,5-dihydroimidazol-1-yl)-3-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-phenyl-1-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-(2H-thiopyran-2-yl)-1,3-thiazolidin-4-yl]-1,3-oxazole
CID 141518820
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
CID 157641619
Bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 158034974
3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,4-ditert-butylfuran;1,3-ditert-butylimidazolidine;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;1,3-ditert-butylpyrrole;1,3-ditert-butylpyrrolidine;1,4-ditert-butylpyrrolidin-2-one;2,4-ditert-butyl-1,3-thiazole;2,4-ditert-butyltriazole
CID 158316716
2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene
CID 159000905
1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene
CID 159357751
Bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 159363720
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
CID 160045520

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 91378309) is 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole is c1ccc(-c2csnc2-c2csc(-c3conc3-c3[nH]ncc3-c3ncco3)n2)nc1.
What is the InChIKey of 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is DTWMHKIMMXRIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N7O2S2/c1-2-4-21-14(3-1)13-9-31-27-16(13)15-10-30-20(24-15)12-8-29-26-18(12)17-11(7-23-25-17)19-22-5-6-28-19/h1-10H,(H,23,25).
What are the key properties of 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 445.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 91378309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).