4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole

C20H14N16O2S2 — CID 141073700

IUPAC4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole
SMILESc1c[nH]c(-c2n[nH]nc2C2(c3ccon3)N(c3csnn3)N(c3conn3)N(c3ccsn3)N2c2ccn[nH]2)c1
InChIInChI=1S/C20H14N16O2S2/c1-2-12(21-6-1)18-19(27-30-26-18)20(13-4-8-37-28-13)33(14-3-7-22-23-14)35(15-5-9-39-29-15)36(16-10-38-31-24-16)34(20)17-11-40-32-25-17/h1-11,21H,(H,22,23)(H,26,27,30)
InChIKeyQTLDMWUPPZEBKY-UHFFFAOYSA-N
MW574.58 g/mol
LogP2.19
Rot. Bonds7

About 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole

4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole (PubChem CID 141073700) has the molecular formula C20H14N16O2S2 and a molecular weight of 574.58 g/mol. Its IUPAC name is 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole
PubChem CID141073700
Molecular FormulaC20H14N16O2S2
Molecular Weight574.58 g/mol
Exact Mass574.09
IUPAC Name4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole
SMILESc1c[nH]c(-c2n[nH]nc2C2(c3ccon3)N(c3csnn3)N(c3conn3)N(c3ccsn3)N2c2ccn[nH]2)c1
InChIInChI=1S/C20H14N16O2S2/c1-2-12(21-6-1)18-19(27-30-26-18)20(13-4-8-37-28-13)33(14-3-7-22-23-14)35(15-5-9-39-29-15)36(16-10-38-31-24-16)34(20)17-11-40-32-25-17/h1-11,21H,(H,22,23)(H,26,27,30)
InChIKeyQTLDMWUPPZEBKY-UHFFFAOYSA-N
XLogP2.19
TPSA202.62 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.58
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-1-(1,2-thiazol-3-yl)triazolidin-4-yl]oxadiazole
CID 140971280
4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole
CID 141015105
4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-2-pyridinyl]oxadiazole
CID 141048954
3-[2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-4H-pyrimidin-5-yl]-1,2-oxazole
CID 141079057
4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-6-(thiadiazol-4-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-1-yl]oxadiazole
CID 141148091
4-[1-(1,2-oxazol-3-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-6-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-3-pyridinyl]oxadiazole
CID 141180800
2-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1,3-oxazole
CID 141214914
3-[2-(oxadiazol-4-yl)-6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-pyridinyl]-1,2,5-oxadiazole
CID 141325336

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole?
The IUPAC name of 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole (CID 141073700) is 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole.
What is the SMILES notation for 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole?
The canonical SMILES for 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole is c1c[nH]c(-c2n[nH]nc2C2(c3ccon3)N(c3csnn3)N(c3conn3)N(c3ccsn3)N2c2ccn[nH]2)c1.
What is the InChIKey of 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole?
The InChIKey is QTLDMWUPPZEBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N16O2S2/c1-2-12(21-6-1)18-19(27-30-26-18)20(13-4-8-37-28-13)33(14-3-7-22-23-14)35(15-5-9-39-29-15)36(16-10-38-31-24-16)34(20)17-11-40-32-25-17/h1-11,21H,(H,22,23)(H,26,27,30).
What are the key properties of 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole?
4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole has a molecular weight of 574.58 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-[5-(1H-pyrrol-2-yl)-2H-triazol-4-yl]-1-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)tetrazolidin-2-yl]oxadiazole is sourced from PubChem (CID 141073700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).