5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole

C19H15N17O3S — CID 141188668

IUPAC5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole
SMILESc1c[nH]c(N2N(c3cn[nH]n3)OC(c3nn[nH]n3)(c3ncco3)C2(C2=NNN(c3ccsn3)O2)c2ccn[nH]2)c1
InChIInChI=1S/C19H15N17O3S/c1-2-12(20-5-1)34-18(11-3-6-22-24-11,16-28-33-35(38-16)13-4-9-40-29-13)19(15-26-31-32-27-15,17-21-7-8-37-17)39-36(34)14-10-23-30-25-14/h1-10,20,33H,(H,22,24)(H,23,25,30)(H,26,27,31,32)
InChIKeyQHJBXMHGDCBUOU-UHFFFAOYSA-N
MW561.51 g/mol
LogP0.10
Rot. Bonds7

About 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole

5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole (PubChem CID 141188668) has the molecular formula C19H15N17O3S and a molecular weight of 561.51 g/mol. Its IUPAC name is 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole.

Molecular Properties

Compound Name5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole
PubChem CID141188668
Molecular FormulaC19H15N17O3S
Molecular Weight561.51 g/mol
Exact Mass561.13
IUPAC Name5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole
SMILESc1c[nH]c(N2N(c3cn[nH]n3)OC(c3nn[nH]n3)(c3ncco3)C2(C2=NNN(c3ccsn3)O2)c2ccn[nH]2)c1
InChIInChI=1S/C19H15N17O3S/c1-2-12(20-5-1)34-18(11-3-6-22-24-11,16-28-33-35(38-16)13-4-9-40-29-13)19(15-26-31-32-27-15,17-21-7-8-37-17)39-36(34)14-10-23-30-25-14/h1-10,20,33H,(H,22,24)(H,23,25,30)(H,26,27,31,32)
InChIKeyQHJBXMHGDCBUOU-UHFFFAOYSA-N
XLogP0.10
TPSA231.99 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.51
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole with MolForge

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Related Compounds

2-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(2H-triazol-4-yl)-1,2-oxazolidine
CID 141192961
3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole
CID 141207619

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole?
The IUPAC name of 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole (CID 141188668) is 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole.
What is the SMILES notation for 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole?
The canonical SMILES for 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole is c1c[nH]c(N2N(c3cn[nH]n3)OC(c3nn[nH]n3)(c3ncco3)C2(C2=NNN(c3ccsn3)O2)c2ccn[nH]2)c1.
What is the InChIKey of 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole?
The InChIKey is QHJBXMHGDCBUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N17O3S/c1-2-12(20-5-1)34-18(11-3-6-22-24-11,16-28-33-35(38-16)13-4-9-40-29-13)19(15-26-31-32-27-15,17-21-7-8-37-17)39-36(34)14-10-23-30-25-14/h1-10,20,33H,(H,22,24)(H,23,25,30)(H,26,27,31,32).
What are the key properties of 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole?
5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole has a molecular weight of 561.51 g/mol, XLogP of 0.10, 7 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole is sourced from PubChem (CID 141188668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).