4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole

C21H11N7O4S3 — CID 141010635

IUPAC4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole
SMILESc1csc(C2(c3ncco3)OC(c3ccon3)=C(c3csnn3)C2(c2conn2)c2nccs2)c1
InChIInChI=1S/C21H11N7O4S3/c1-2-15(33-8-1)21(18-22-4-7-29-18)20(14-10-31-27-25-14,19-23-5-9-34-19)16(13-11-35-28-24-13)17(32-21)12-3-6-30-26-12/h1-11H
InChIKeyUVLQKIZHPDFNQW-UHFFFAOYSA-N
MW521.57 g/mol
LogP4.24
Rot. Bonds6

About 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole

4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole (PubChem CID 141010635) has the molecular formula C21H11N7O4S3 and a molecular weight of 521.57 g/mol. Its IUPAC name is 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole
PubChem CID141010635
Molecular FormulaC21H11N7O4S3
Molecular Weight521.57 g/mol
Exact Mass521.00
IUPAC Name4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole
SMILESc1csc(C2(c3ncco3)OC(c3ccon3)=C(c3csnn3)C2(c2conn2)c2nccs2)c1
InChIInChI=1S/C21H11N7O4S3/c1-2-15(33-8-1)21(18-22-4-7-29-18)20(14-10-31-27-25-14,19-23-5-9-34-19)16(13-11-35-28-24-13)17(32-21)12-3-6-30-26-12/h1-11H
InChIKeyUVLQKIZHPDFNQW-UHFFFAOYSA-N
XLogP4.24
TPSA138.88 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole with MolForge

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Related Compounds

2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136622089
3-[2-(Furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole
CID 141001342
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)-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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole?
The IUPAC name of 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole (CID 141010635) is 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole.
What is the SMILES notation for 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole?
The canonical SMILES for 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole is c1csc(C2(c3ncco3)OC(c3ccon3)=C(c3csnn3)C2(c2conn2)c2nccs2)c1.
What is the InChIKey of 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole?
The InChIKey is UVLQKIZHPDFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N7O4S3/c1-2-15(33-8-1)21(18-22-4-7-29-18)20(14-10-31-27-25-14,19-23-5-9-34-19)16(13-11-35-28-24-13)17(32-21)12-3-6-30-26-12/h1-11H.
What are the key properties of 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole?
4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole has a molecular weight of 521.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole is sourced from PubChem (CID 141010635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).