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

C23H17N15O2S — CID 141148091

IUPAC4-[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
SMILESc1c[nH]c(N2C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3csnn3)N(c3conn3)C2(c2cn[nH]n2)c2ccon2)c1
InChIInChI=1S/C23H17N15O2S/c1-2-17(24-5-1)37-21(22-25-7-8-26-22)19(13-3-6-27-29-13)20(14-12-41-36-30-14)38(18-11-40-35-32-18)23(37,15-4-9-39-33-15)16-10-28-34-31-16/h1-12,21,24H,(H,25,26)(H,27,29)(H,28,31,34)
InChIKeyKCVNZGTTWBDVFT-UHFFFAOYSA-N
MW567.56 g/mol
LogP2.34
Rot. Bonds7

About 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

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 (PubChem CID 141148091) has the molecular formula C23H17N15O2S and a molecular weight of 567.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID141148091
Molecular FormulaC23H17N15O2S
Molecular Weight567.56 g/mol
Exact Mass567.14
IUPAC Name4-[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
SMILESc1c[nH]c(N2C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3csnn3)N(c3conn3)C2(c2cn[nH]n2)c2ccon2)c1
InChIInChI=1S/C23H17N15O2S/c1-2-17(24-5-1)37-21(22-25-7-8-26-22)19(13-3-6-27-29-13)20(14-12-41-36-30-14)38(18-11-40-35-32-18)23(37,15-4-9-39-33-15)16-10-28-34-31-16/h1-12,21,24H,(H,25,26)(H,27,29)(H,28,31,34)
InChIKeyKCVNZGTTWBDVFT-UHFFFAOYSA-N
XLogP2.34
TPSA211.93 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.56
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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 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-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole
CID 137099320
2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole
CID 141036358
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
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-[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
4-[5-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-6-pyridazin-3-yl-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-2,4-dihydropyrimidin-3-yl]oxadiazole
CID 173181808

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1c[nH]c(N2C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3csnn3)N(c3conn3)C2(c2cn[nH]n2)c2ccon2)c1.
What is the InChIKey of 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?
The InChIKey is KCVNZGTTWBDVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N15O2S/c1-2-17(24-5-1)37-21(22-25-7-8-26-22)19(13-3-6-27-29-13)20(14-12-41-36-30-14)38(18-11-40-35-32-18)23(37,15-4-9-39-33-15)16-10-28-34-31-16/h1-12,21,24H,(H,25,26)(H,27,29)(H,28,31,34).
What are the key properties of 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?
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 has a molecular weight of 567.56 g/mol, XLogP of 2.34, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141148091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).