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

C23H15N11O3S3 — CID 141026497

IUPAC2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole
SMILESc1coc(S2(c3nn[nH]n3)(c3ncn[nH]3)(c3cccs3)N=C(c3nccs3)C(c3ccon3)=C2c2ncco2)c1
InChIInChI=1S/C23H15N11O3S3/c1-3-15(35-8-1)40(16-4-2-11-38-16,22-26-13-27-28-22,23-29-33-34-30-23)19(20-24-6-10-36-20)17(14-5-9-37-31-14)18(32-40)21-25-7-12-39-21/h1-13H,(H,26,27,28)(H,29,30,33,34)
InChIKeyJQWDHDBKDGWDAS-UHFFFAOYSA-N
MW589.65 g/mol
LogP4.80
Rot. Bonds7

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

2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole (PubChem CID 141026497) has the molecular formula C23H15N11O3S3 and a molecular weight of 589.65 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole
PubChem CID141026497
Molecular FormulaC23H15N11O3S3
Molecular Weight589.65 g/mol
Exact Mass589.05
IUPAC Name2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole
SMILESc1coc(S2(c3nn[nH]n3)(c3ncn[nH]3)(c3cccs3)N=C(c3nccs3)C(c3ccon3)=C2c2ncco2)c1
InChIInChI=1S/C23H15N11O3S3/c1-3-15(35-8-1)40(16-4-2-11-38-16,22-26-13-27-28-22,23-29-33-34-30-23)19(20-24-6-10-36-20)17(14-5-9-37-31-14)18(32-40)21-25-7-12-39-21/h1-13H,(H,26,27,28)(H,29,30,33,34)
InChIKeyJQWDHDBKDGWDAS-UHFFFAOYSA-N
XLogP4.80
TPSA186.48 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.65
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[1-(furan-2-yl)-1-(1,2-oxazol-3-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-3H-thiadiazol-1-yl]-1,3-oxazole
CID 141026542
2-[(E)-but-2-enyl]-1,3-oxazole;3-[(E)-but-2-enyl]thiophene;4-[(E)-but-2-enyl]-2H-triazole;3-[(E)-3-methylpent-3-enyl]furan;2-[(E)-pent-3-enyl]-1,3-oxazole;5-[(E)-pent-3-enyl]-2H-tetrazole;2-[(E)-prop-1-enyl]-1,3-thiazole;2-propyl-1H-imidazole;4-propyl-1,2-oxazole;2-propyl-1,3-thiazole
CID 157823993
3-propan-2-ylfuran;bis(2-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);5-propan-2-yl-2H-pyrrole;bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 158507661
methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
CID 159610767

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole (CID 141026497) is 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole is c1coc(S2(c3nn[nH]n3)(c3ncn[nH]3)(c3cccs3)N=C(c3nccs3)C(c3ccon3)=C2c2ncco2)c1.
What is the InChIKey of 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole?
The InChIKey is JQWDHDBKDGWDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N11O3S3/c1-3-15(35-8-1)40(16-4-2-11-38-16,22-26-13-27-28-22,23-29-33-34-30-23)19(20-24-6-10-36-20)17(14-5-9-37-31-14)18(32-40)21-25-7-12-39-21/h1-13H,(H,26,27,28)(H,29,30,33,34).
What are the key properties of 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole?
2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole has a molecular weight of 589.65 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 141026497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).