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

C21H20N4O3S — CID 141060256

IUPAC5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole
SMILESc1coc(CC2=C(Cc3cccs3)C(Cc3ncco3)N(Cc3ccn[nH]3)O2)c1
InChIInChI=1S/C21H20N4O3S/c1-3-16(26-8-1)11-20-18(12-17-4-2-10-29-17)19(13-21-22-7-9-27-21)25(28-20)14-15-5-6-23-24-15/h1-10,19H,11-14H2,(H,23,24)
InChIKeyYEYVZJDLKFUMQL-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.15
Rot. Bonds8

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

5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole (PubChem CID 141060256) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 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)-3H-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)-3H-1,2-oxazole
PubChem CID141060256
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole
SMILESc1coc(CC2=C(Cc3cccs3)C(Cc3ncco3)N(Cc3ccn[nH]3)O2)c1
InChIInChI=1S/C21H20N4O3S/c1-3-16(26-8-1)11-20-18(12-17-4-2-10-29-17)19(13-21-22-7-9-27-21)25(28-20)14-15-5-6-23-24-15/h1-10,19H,11-14H2,(H,23,24)
InChIKeyYEYVZJDLKFUMQL-UHFFFAOYSA-N
XLogP4.15
TPSA80.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-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
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
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
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
2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene
CID 161370297
1-ethyl-N-(furan-2-ylmethyl)-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19509218
N-(furan-2-ylmethyl)-1-methyl-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19509229
1-benzyl-3-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 24575112
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 40100171
4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 51104466
N-(2-furylmethyl)-3-(1-methyl-1H-pyrrol-2-yl)-N-(2-thienylmethyl)-1H-pyrazole-5-carboxamide
CID 70775218
5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78879882

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)-3H-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)-3H-1,2-oxazole (CID 141060256) is 5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-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)-3H-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)-3H-1,2-oxazole is c1coc(CC2=C(Cc3cccs3)C(Cc3ncco3)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)-3H-1,2-oxazole?
The InChIKey is YEYVZJDLKFUMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-3-16(26-8-1)11-20-18(12-17-4-2-10-29-17)19(13-21-22-7-9-27-21)25(28-20)14-15-5-6-23-24-15/h1-10,19H,11-14H2,(H,23,24).
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)-3H-1,2-oxazole?
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole has a molecular weight of 408.48 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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)-3H-1,2-oxazole is sourced from PubChem (CID 141060256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).