2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole

C22H15N7O3S3 — CID 141075802

IUPAC2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
SMILESc1coc(N2N(c3nccs3)N(c3ccsn3)C(c3ncco3)C2(c2ccon2)c2cccs2)c1
InChIInChI=1S/C22H15N7O3S3/c1-4-18(30-9-1)28-22(15-5-10-32-25-15,16-3-2-12-33-16)19(20-23-7-11-31-20)27(17-6-13-35-26-17)29(28)21-24-8-14-34-21/h1-14,19H
InChIKeyRDRVBOHDJMNEAZ-UHFFFAOYSA-N
MW521.61 g/mol
LogP5.58
Rot. Bonds6

About 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole

2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole (PubChem CID 141075802) has the molecular formula C22H15N7O3S3 and a molecular weight of 521.61 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
PubChem CID141075802
Molecular FormulaC22H15N7O3S3
Molecular Weight521.61 g/mol
Exact Mass521.04
IUPAC Name2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
SMILESc1coc(N2N(c3nccs3)N(c3ccsn3)C(c3ncco3)C2(c2ccon2)c2cccs2)c1
InChIInChI=1S/C22H15N7O3S3/c1-4-18(30-9-1)28-22(15-5-10-32-25-15,16-3-2-12-33-16)19(20-23-7-11-31-20)27(17-6-13-35-26-17)29(28)21-24-8-14-34-21/h1-14,19H
InChIKeyRDRVBOHDJMNEAZ-UHFFFAOYSA-N
XLogP5.58
TPSA100.70 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500521.61
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-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
3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole
CID 56619082
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
CID 140977273
2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
CID 140997560
4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole
CID 140998454
2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole
CID 141010158
2-[2-(Furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole
CID 141026538
2-[4-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazolidin-1-yl]-1,3-oxazole
CID 141041360
2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-2-yl]-1,3-oxazole
CID 141048009
4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole
CID 141091541
2-[4-(Furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole
CID 141116088
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
CID 141122037

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole (CID 141075802) is 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole is c1coc(N2N(c3nccs3)N(c3ccsn3)C(c3ncco3)C2(c2ccon2)c2cccs2)c1.
What is the InChIKey of 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole?
The InChIKey is RDRVBOHDJMNEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7O3S3/c1-4-18(30-9-1)28-22(15-5-10-32-25-15,16-3-2-12-33-16)19(20-23-7-11-31-20)27(17-6-13-35-26-17)29(28)21-24-8-14-34-21/h1-14,19H.
What are the key properties of 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole?
2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole has a molecular weight of 521.61 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141075802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).