4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole

C24H20N8O2S — CID 141003429

IUPAC4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole
SMILESc1cnc(N2C(Cc3ccco3)=C(Cc3ccn[nH]3)OC2(Cc2cccs2)c2ccnnn2)nc1
InChIInChI=1S/C24H20N8O2S/c1-4-18(33-12-1)15-20-21(14-17-6-10-27-29-17)34-24(16-19-5-2-13-35-19,22-7-11-28-31-30-22)32(20)23-25-8-3-9-26-23/h1-13H,14-16H2,(H,27,29)
InChIKeyBNXJGIJAQILDAQ-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.67
Rot. Bonds8

About 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole

4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole (PubChem CID 141003429) has the molecular formula C24H20N8O2S and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole
PubChem CID141003429
Molecular FormulaC24H20N8O2S
Molecular Weight484.55 g/mol
Exact Mass484.14
IUPAC Name4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole
SMILESc1cnc(N2C(Cc3ccco3)=C(Cc3ccn[nH]3)OC2(Cc2cccs2)c2ccnnn2)nc1
InChIInChI=1S/C24H20N8O2S/c1-4-18(33-12-1)15-20-21(14-17-6-10-27-29-17)34-24(16-19-5-2-13-35-19,22-7-11-28-31-30-22)32(20)23-25-8-3-9-26-23/h1-13H,14-16H2,(H,27,29)
InChIKeyBNXJGIJAQILDAQ-UHFFFAOYSA-N
XLogP3.67
TPSA118.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-thienyl}-1H-pyrazole
CID 56748164
2-[2-cyclohex-2-en-1-ylsulfanyl-5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-3H-pyrazol-1-yl]pyrimidine
CID 140975574
3-(Furan-2-yl)-4-pyrazin-2-yl-2-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-4-thiophen-2-yl-1,3-oxazolidine
CID 141008266
5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine
CID 141035121
3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141048956
2-[1-cyclohex-2-en-1-ylsulfanyl-3-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 141099672
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole
CID 141151192
2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine
CID 141203638
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-phenyl-4-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-2H-pyridine
CID 141203743
1-[5-(furan-2-yl)-4-pentyl-3-piperidin-1-yl-2-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazolidin-2-yl]piperazine
CID 141213921
4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole
CID 141214111
3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine
CID 151616737

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole?
The IUPAC name of 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole (CID 141003429) is 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole?
The canonical SMILES for 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole is c1cnc(N2C(Cc3ccco3)=C(Cc3ccn[nH]3)OC2(Cc2cccs2)c2ccnnn2)nc1.
What is the InChIKey of 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole?
The InChIKey is BNXJGIJAQILDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2S/c1-4-18(33-12-1)15-20-21(14-17-6-10-27-29-17)34-24(16-19-5-2-13-35-19,22-7-11-28-31-30-22)32(20)23-25-8-3-9-26-23/h1-13H,14-16H2,(H,27,29).
What are the key properties of 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole?
4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole has a molecular weight of 484.55 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-5-(1H-pyrazol-5-ylmethyl)-3-pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-2-(triazin-4-yl)-1,3-oxazole is sourced from PubChem (CID 141003429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).