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

C24H21N7O3S — CID 140978070

IUPAC5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole
SMILESc1coc(CC2=C(Cc3cccs3)C(Cc3ncco3)(c3ccnnn3)N(Cc3ccn[nH]3)O2)c1
InChIInChI=1S/C24H21N7O3S/c1-3-18(32-10-1)13-21-20(14-19-4-2-12-35-19)24(15-23-25-9-11-33-23,22-6-8-27-30-29-22)31(34-21)16-17-5-7-26-28-17/h1-12H,13-16H2,(H,26,28)
InChIKeyRLUXQPNRLMTEKW-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.86
Rot. Bonds9

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

5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole (PubChem CID 140978070) has the molecular formula C24H21N7O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole
PubChem CID140978070
Molecular FormulaC24H21N7O3S
Molecular Weight487.55 g/mol
Exact Mass487.14
IUPAC Name5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole
SMILESc1coc(CC2=C(Cc3cccs3)C(Cc3ncco3)(c3ccnnn3)N(Cc3ccn[nH]3)O2)c1
InChIInChI=1S/C24H21N7O3S/c1-3-18(32-10-1)13-21-20(14-19-4-2-12-35-19)24(15-23-25-9-11-33-23,22-6-8-27-30-29-22)31(34-21)16-17-5-7-26-28-17/h1-12H,13-16H2,(H,26,28)
InChIKeyRLUXQPNRLMTEKW-UHFFFAOYSA-N
XLogP3.86
TPSA118.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole with MolForge

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Related Compounds

5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 41399399
3-(furan-2-yl)-N-((5-(thiophen-2-yl)pyridin-3-yl)methyl)-1H-pyrazole-5-carboxamide
CID 91630659
2-(6-Phenyl-6-thiophen-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21928818
2-(6-Phenyl-6-thiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929183
2-(6,6-Dithiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929521
2-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21929577
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 140977813
3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-1,2-oxazole
CID 141015596
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 141039475
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole
CID 141060256
2-(6-Phenyl-6-thiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6-phenyl-6-thiophen-2-yl-3-thiophen-3-yl-1,7-dihydroindazole
CID 157853246
2-[6,6-Bis(4-methoxyphenyl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;6,6-bis(4-methoxyphenyl)-3-thiophen-3-yl-1,7-dihydroindazole
CID 158833456

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole?
The IUPAC name of 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole (CID 140978070) is 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole?
The canonical SMILES for 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole is c1coc(CC2=C(Cc3cccs3)C(Cc3ncco3)(c3ccnnn3)N(Cc3ccn[nH]3)O2)c1.
What is the InChIKey of 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole?
The InChIKey is RLUXQPNRLMTEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3S/c1-3-18(32-10-1)13-21-20(14-19-4-2-12-35-19)24(15-23-25-9-11-33-23,22-6-8-27-30-29-22)31(34-21)16-17-5-7-26-28-17/h1-12H,13-16H2,(H,26,28).
What are the key properties of 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole?
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole has a molecular weight of 487.55 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole is sourced from PubChem (CID 140978070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).