3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole

C19H21N11O — CID 140970775

IUPAC3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole
SMILESc1c[nH]c(C2(c3ccn[nH]3)OC(c3cn[nH]n3)=C(N3CCNCC3)N2c2ncc[nH]2)c1
InChIInChI=1S/C19H21N11O/c1-2-14(21-4-1)19(15-3-5-24-27-15)30(18-22-6-7-23-18)17(29-10-8-20-9-11-29)16(31-19)13-12-25-28-26-13/h1-7,12,20-21H,8-11H2,(H,22,23)(H,24,27)(H,25,26,28)
InChIKeyADORYRKJXWVDRH-UHFFFAOYSA-N
MW419.45 g/mol
LogP0.55
Rot. Bonds5

About 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole

3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole (PubChem CID 140970775) has the molecular formula C19H21N11O and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole
PubChem CID140970775
Molecular FormulaC19H21N11O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole
SMILESc1c[nH]c(C2(c3ccn[nH]3)OC(c3cn[nH]n3)=C(N3CCNCC3)N2c2ncc[nH]2)c1
InChIInChI=1S/C19H21N11O/c1-2-14(21-4-1)19(15-3-5-24-27-15)30(18-22-6-7-23-18)17(29-10-8-20-9-11-29)16(31-19)13-12-25-28-26-13/h1-7,12,20-21H,8-11H2,(H,22,23)(H,24,27)(H,25,26,28)
InChIKeyADORYRKJXWVDRH-UHFFFAOYSA-N
XLogP0.55
TPSA142.46 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 50.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole with MolForge

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Related Compounds

4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine
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6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine
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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
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5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole
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6-(1,3-dihydropyrazol-2-yl)-3a-(7H-purin-2-yl)-3-(2H-pyran-2-yl)-2-pyrazin-2-yl-7-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4H-[1,3]oxazolo[4,5-b]pyridine
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CID 158472327

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole?
The IUPAC name of 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole (CID 140970775) is 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole?
The canonical SMILES for 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole is c1c[nH]c(C2(c3ccn[nH]3)OC(c3cn[nH]n3)=C(N3CCNCC3)N2c2ncc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole?
The InChIKey is ADORYRKJXWVDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N11O/c1-2-14(21-4-1)19(15-3-5-24-27-15)30(18-22-6-7-23-18)17(29-10-8-20-9-11-29)16(31-19)13-12-25-28-26-13/h1-7,12,20-21H,8-11H2,(H,22,23)(H,24,27)(H,25,26,28).
What are the key properties of 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole?
3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole has a molecular weight of 419.45 g/mol, XLogP of 0.55, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 140970775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).