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

C21H15N7O2S — CID 141214914

IUPAC2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole
SMILESc1ccc(C2(c3ccon3)OC(c3ccsn3)=C(c3ccn[nH]3)N2c2ccc[nH]2)nc1
InChIInChI=1S/C21H15N7O2S/c1-2-9-22-16(4-1)21(17-7-12-29-26-17)28(18-5-3-10-23-18)19(14-6-11-24-25-14)20(30-21)15-8-13-31-27-15/h1-13,23H,(H,24,25)
InChIKeyFKIHFPMODVBUPJ-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.84
Rot. Bonds5

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

2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole (PubChem CID 141214914) has the molecular formula C21H15N7O2S and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole
PubChem CID141214914
Molecular FormulaC21H15N7O2S
Molecular Weight429.47 g/mol
Exact Mass429.10
IUPAC Name2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole
SMILESc1ccc(C2(c3ccon3)OC(c3ccsn3)=C(c3ccn[nH]3)N2c2ccc[nH]2)nc1
InChIInChI=1S/C21H15N7O2S/c1-2-9-22-16(4-1)21(17-7-12-29-26-17)28(18-5-3-10-23-18)19(14-6-11-24-25-14)20(30-21)15-8-13-31-27-15/h1-13,23H,(H,24,25)
InChIKeyFKIHFPMODVBUPJ-UHFFFAOYSA-N
XLogP3.84
TPSA108.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-4-(2H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-1,3-oxazolidine
CID 141008189
4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole
CID 141073700
3-[2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-4H-pyrimidin-5-yl]-1,2-oxazole
CID 141079057
4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole
CID 176072894

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole (CID 141214914) is 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole is c1ccc(C2(c3ccon3)OC(c3ccsn3)=C(c3ccn[nH]3)N2c2ccc[nH]2)nc1.
What is the InChIKey of 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole?
The InChIKey is FKIHFPMODVBUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O2S/c1-2-9-22-16(4-1)21(17-7-12-29-26-17)28(18-5-3-10-23-18)19(14-6-11-24-25-14)20(30-21)15-8-13-31-27-15/h1-13,23H,(H,24,25).
What are the key properties of 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole?
2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole has a molecular weight of 429.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 141214914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).