4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole

C23H16N12O4S — CID 141082646

IUPAC4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole
SMILESc1c[nH]c(C2(c3ncc(-c4ccco4)[nH]3)N(c3ccon3)N(c3ncco3)N(c3conn3)N2c2nccs2)c1
InChIInChI=1S/C23H16N12O4S/c1-4-17(24-6-1)23(20-27-13-15(28-20)16-3-2-9-36-16)32(18-5-10-38-30-18)35(21-25-7-11-37-21)34(19-14-39-31-29-19)33(23)22-26-8-12-40-22/h1-14,24H,(H,27,28)
InChIKeyDRINHUPGYFGFCA-UHFFFAOYSA-N
MW556.53 g/mol
LogP3.80
Rot. Bonds7

About 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole

4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole (PubChem CID 141082646) has the molecular formula C23H16N12O4S and a molecular weight of 556.53 g/mol. Its IUPAC name is 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole
PubChem CID141082646
Molecular FormulaC23H16N12O4S
Molecular Weight556.53 g/mol
Exact Mass556.11
IUPAC Name4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole
SMILESc1c[nH]c(C2(c3ncc(-c4ccco4)[nH]3)N(c3ccon3)N(c3ncco3)N(c3conn3)N2c2nccs2)c1
InChIInChI=1S/C23H16N12O4S/c1-4-17(24-6-1)23(20-27-13-15(28-20)16-3-2-9-36-16)32(18-5-10-38-30-18)35(21-25-7-11-37-21)34(19-14-39-31-29-19)33(23)22-26-8-12-40-22/h1-14,24H,(H,27,28)
InChIKeyDRINHUPGYFGFCA-UHFFFAOYSA-N
XLogP3.80
TPSA174.44 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole?
The IUPAC name of 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole (CID 141082646) is 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole.
What is the SMILES notation for 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole?
The canonical SMILES for 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole is c1c[nH]c(C2(c3ncc(-c4ccco4)[nH]3)N(c3ccon3)N(c3ncco3)N(c3conn3)N2c2nccs2)c1.
What is the InChIKey of 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole?
The InChIKey is DRINHUPGYFGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N12O4S/c1-4-17(24-6-1)23(20-27-13-15(28-20)16-3-2-9-36-16)32(18-5-10-38-30-18)35(21-25-7-11-37-21)34(19-14-39-31-29-19)33(23)22-26-8-12-40-22/h1-14,24H,(H,27,28).
What are the key properties of 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole?
4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole has a molecular weight of 556.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole is sourced from PubChem (CID 141082646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).