4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine

C24H20N14O — CID 141071045

IUPAC4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine
SMILESc1c[nH]c(C2(c3ccn[nH]3)OC(c3nn[nH]n3)C(c3ncc[nH]3)(c3[nH]cc4ccccc34)N2c2cn[nH]n2)c1
InChIInChI=1S/C24H20N14O/c1-2-5-15-14(4-1)12-28-19(15)23(22-26-10-11-27-22)20(21-33-36-37-34-21)39-24(16-6-3-8-25-16,17-7-9-29-31-17)38(23)18-13-30-35-32-18/h1-13,20,25,28H,(H,26,27)(H,29,31)(H,30,32,35)(H,33,34,36,37)
InChIKeyQOYUKMPQKFRKGH-UHFFFAOYSA-N
MW520.52 g/mol
LogP2.00
Rot. Bonds6

About 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine

4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine (PubChem CID 141071045) has the molecular formula C24H20N14O and a molecular weight of 520.52 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine
PubChem CID141071045
Molecular FormulaC24H20N14O
Molecular Weight520.52 g/mol
Exact Mass520.19
IUPAC Name4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine
SMILESc1c[nH]c(C2(c3ccn[nH]3)OC(c3nn[nH]n3)C(c3ncc[nH]3)(c3[nH]cc4ccccc34)N2c2cn[nH]n2)c1
InChIInChI=1S/C24H20N14O/c1-2-5-15-14(4-1)12-28-19(15)23(22-26-10-11-27-22)20(21-33-36-37-34-21)39-24(16-6-3-8-25-16,17-7-9-29-31-17)38(23)18-13-30-35-32-18/h1-13,20,25,28H,(H,26,27)(H,29,31)(H,30,32,35)(H,33,34,36,37)
InChIKeyQOYUKMPQKFRKGH-UHFFFAOYSA-N
XLogP2.00
TPSA197.44 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.52
LogP ≤ 52.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine with MolForge

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Related Compounds

N-(1H-indol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028337
3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135497884
2-[(4-fluorophenyl)-(3-pyrrolidin-1-ylpropoxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45101371
2-[2-(tert-butylamino)ethoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107662
2-[(4-fluorophenyl)-(2-pyrrolidin-1-ylethoxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494438
2-[(4-fluorophenyl)-(3-piperazin-1-ylpropoxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 70927357
2-[(2-fluoro-2-methylpropoxy)-(4-fluorophenyl)methyl]-N-[1-[[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]methyl]-5-methylpyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 70927368
8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 90175298
8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136626661
8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136626676
N-[(2-ethyl-4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrazol-3-amine
CID 140156958
5-[(4R)-1'-[cyclohexyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 164859022

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine?
The IUPAC name of 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine (CID 141071045) is 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine is c1c[nH]c(C2(c3ccn[nH]3)OC(c3nn[nH]n3)C(c3ncc[nH]3)(c3[nH]cc4ccccc34)N2c2cn[nH]n2)c1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine?
The InChIKey is QOYUKMPQKFRKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N14O/c1-2-5-15-14(4-1)12-28-19(15)23(22-26-10-11-27-22)20(21-33-36-37-34-21)39-24(16-6-3-8-25-16,17-7-9-29-31-17)38(23)18-13-30-35-32-18/h1-13,20,25,28H,(H,26,27)(H,29,31)(H,30,32,35)(H,33,34,36,37).
What are the key properties of 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine?
4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine has a molecular weight of 520.52 g/mol, XLogP of 2.00, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine is sourced from PubChem (CID 141071045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).