3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole

C15H10N8OS — CID 141028368

IUPAC3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole
SMILESc1csc(-n2nc(-c3ccon3)c(-c3ncc[nH]3)c2-c2cn[nH]n2)c1
InChIInChI=1S/C15H10N8OS/c1-2-11(25-7-1)23-14(10-8-18-22-19-10)12(15-16-4-5-17-15)13(20-23)9-3-6-24-21-9/h1-8H,(H,16,17)(H,18,19,22)
InChIKeyNSOZGIVEFGXXBI-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.76
Rot. Bonds4

About 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole

3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole (PubChem CID 141028368) has the molecular formula C15H10N8OS and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole
PubChem CID141028368
Molecular FormulaC15H10N8OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole
SMILESc1csc(-n2nc(-c3ccon3)c(-c3ncc[nH]3)c2-c2cn[nH]n2)c1
InChIInChI=1S/C15H10N8OS/c1-2-11(25-7-1)23-14(10-8-18-22-19-10)12(15-16-4-5-17-15)13(20-23)9-3-6-24-21-9/h1-8H,(H,16,17)(H,18,19,22)
InChIKeyNSOZGIVEFGXXBI-UHFFFAOYSA-N
XLogP2.76
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[(2-Fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-thiophen-3-ylpyrimidin-4-amine
CID 56597270
2-[1-[(2-Fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 68642178
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 87527792
2-[5-(1,2-Oxazol-3-yl)-1-(thiophen-3-ylmethyl)pyrazol-3-yl]pyrimidin-4-amine
CID 90089492
4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136650165
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[4-(1,2,3-benzothiadiazol-4-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-3-thiophen-2-ylimidazol-2-yl]-1,2-oxazole
CID 141028377
3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141028379
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-[6-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141064478
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
3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
CID 157454282

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole (CID 141028368) is 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole is c1csc(-n2nc(-c3ccon3)c(-c3ncc[nH]3)c2-c2cn[nH]n2)c1.
What is the InChIKey of 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole?
The InChIKey is NSOZGIVEFGXXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N8OS/c1-2-11(25-7-1)23-14(10-8-18-22-19-10)12(15-16-4-5-17-15)13(20-23)9-3-6-24-21-9/h1-8H,(H,16,17)(H,18,19,22).
What are the key properties of 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole?
3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole has a molecular weight of 350.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 141028368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).