2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole

C26H23N7O2S — CID 141212955

IUPAC2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole
SMILESc1csc(Cc2c(Cc3ccn[nH]3)nc(Cc3ncc[nH]3)c(Cc3ccon3)c2Cc2ncco2)c1
InChIInChI=1S/C26H23N7O2S/c1-2-19(36-11-1)14-22-20(15-26-29-8-10-34-26)21(12-18-4-9-35-33-18)24(16-25-27-6-7-28-25)31-23(22)13-17-3-5-30-32-17/h1-11H,12-16H2,(H,27,28)(H,30,32)
InChIKeyGBRXHAQQJFLFGH-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.52
Rot. Bonds10

About 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole

2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole (PubChem CID 141212955) has the molecular formula C26H23N7O2S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole
PubChem CID141212955
Molecular FormulaC26H23N7O2S
Molecular Weight497.58 g/mol
Exact Mass497.16
IUPAC Name2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole
SMILESc1csc(Cc2c(Cc3ccn[nH]3)nc(Cc3ncc[nH]3)c(Cc3ccon3)c2Cc2ncco2)c1
InChIInChI=1S/C26H23N7O2S/c1-2-19(36-11-1)14-22-20(15-26-29-8-10-34-26)21(12-18-4-9-35-33-18)24(16-25-27-6-7-28-25)31-23(22)13-17-3-5-30-32-17/h1-11H,12-16H2,(H,27,28)(H,30,32)
InChIKeyGBRXHAQQJFLFGH-UHFFFAOYSA-N
XLogP4.52
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole with MolForge

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Related Compounds

5-[4-[4-[5-[4-[3-[4-(1,3-Thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole
CID 54015368
2-[2-[4-(1H-imidazol-2-yl)-5-pyrazin-2-ylpyridazin-3-yl]thiophen-3-yl]-4-(3-pyrimidin-2-yl-2-pyridinyl)-1,3-oxazole
CID 54550762
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
5-[5-(4-pyrazin-2-ylpyridazin-3-yl)thiadiazol-4-yl]-4-[5-[4-[2-[2-[3-[2-[3-[2-[4-(1H-pyrazol-3-yl)-1H-imidazol-5-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1,2-thiazol-4-yl]-3-pyridinyl]pyrimidin-4-yl]-1H-triazol-5-yl]tetrazol-1-yl]oxadiazole
CID 123662643
2-[2-[5-(1H-pyrrol-3-yl)-1H-pyrazol-4-yl]-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136170764
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
CID 136502515
2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136628730
2-[3-[2-[2-[2-[2-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)furan-3-yl]phenyl]sulfanyl-1H-pyrrol-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-[4-(thiadiazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 136653447
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
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137076653

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole (CID 141212955) is 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole is c1csc(Cc2c(Cc3ccn[nH]3)nc(Cc3ncc[nH]3)c(Cc3ccon3)c2Cc2ncco2)c1.
What is the InChIKey of 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole?
The InChIKey is GBRXHAQQJFLFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2S/c1-2-19(36-11-1)14-22-20(15-26-29-8-10-34-26)21(12-18-4-9-35-33-18)24(16-25-27-6-7-28-25)31-23(22)13-17-3-5-30-32-17/h1-11H,12-16H2,(H,27,28)(H,30,32).
What are the key properties of 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole?
2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole has a molecular weight of 497.58 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole is sourced from PubChem (CID 141212955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).