4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole

C13H8N10O2 — CID 136652996

IUPAC4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole
SMILESc1n[nH]nc1-c1cnc(-c2cn[nH]c2-c2oncc2-c2conn2)[nH]1
InChIInChI=1S/C13H8N10O2/c1-7(13-14-3-8(18-13)9-4-16-22-19-9)11(21-15-1)12-6(2-17-25-12)10-5-24-23-20-10/h1-5H,(H,14,18)(H,15,21)(H,16,19,22)
InChIKeyURJBFNOZMKJNFU-UHFFFAOYSA-N
MW336.28 g/mol
LogP1.29
Rot. Bonds4

About 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole

4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole (PubChem CID 136652996) has the molecular formula C13H8N10O2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole
PubChem CID136652996
Molecular FormulaC13H8N10O2
Molecular Weight336.28 g/mol
Exact Mass336.08
IUPAC Name4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole
SMILESc1n[nH]nc1-c1cnc(-c2cn[nH]c2-c2oncc2-c2conn2)[nH]1
InChIInChI=1S/C13H8N10O2/c1-7(13-14-3-8(18-13)9-4-16-22-19-9)11(21-15-1)12-6(2-17-25-12)10-5-24-23-20-10/h1-5H,(H,14,18)(H,15,21)(H,16,19,22)
InChIKeyURJBFNOZMKJNFU-UHFFFAOYSA-N
XLogP1.29
TPSA163.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole
CID 136657263
3-[5-[5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-1H-imidazol-2-yl]-1H-imidazol-2-yl]-4-[3-(1,2-oxazol-5-yl)-1,2-oxazol-4-yl]-1,2-oxazole
CID 137092783
3-[5-[5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-1H-imidazol-3-ium-2-yl]-1H-imidazol-2-yl]-4-[3-(1,2-oxazol-5-yl)-1,2-oxazol-4-yl]-1,2-oxazole
CID 173074195

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole?
The IUPAC name of 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole (CID 136652996) is 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole.
What is the SMILES notation for 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole?
The canonical SMILES for 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole is c1n[nH]nc1-c1cnc(-c2cn[nH]c2-c2oncc2-c2conn2)[nH]1.
What is the InChIKey of 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole?
The InChIKey is URJBFNOZMKJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N10O2/c1-7(13-14-3-8(18-13)9-4-16-22-19-9)11(21-15-1)12-6(2-17-25-12)10-5-24-23-20-10/h1-5H,(H,14,18)(H,15,21)(H,16,19,22).
What are the key properties of 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole?
4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole has a molecular weight of 336.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole is sourced from PubChem (CID 136652996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).