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

C16H13N13O — CID 141001344

IUPAC5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole
SMILESc1c[nH]c(N2C(c3cn[nH]n3)=C(c3ncc[nH]3)OC2(c2nn[nH]n2)c2ccn[nH]2)c1
InChIInChI=1S/C16H13N13O/c1-2-11(17-4-1)29-12(9-8-21-26-22-9)13(14-18-6-7-19-14)30-16(29,10-3-5-20-23-10)15-24-27-28-25-15/h1-8,17H,(H,18,19)(H,20,23)(H,21,22,26)(H,24,25,27,28)
InChIKeyBSLKTIPMCXJKAQ-UHFFFAOYSA-N
MW403.37 g/mol
LogP0.36
Rot. Bonds5

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

5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole (PubChem CID 141001344) has the molecular formula C16H13N13O and a molecular weight of 403.37 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole
PubChem CID141001344
Molecular FormulaC16H13N13O
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole
SMILESc1c[nH]c(N2C(c3cn[nH]n3)=C(c3ncc[nH]3)OC2(c2nn[nH]n2)c2ccn[nH]2)c1
InChIInChI=1S/C16H13N13O/c1-2-11(17-4-1)29-12(9-8-21-26-22-9)13(14-18-6-7-19-14)30-16(29,10-3-5-20-23-10)15-24-27-28-25-15/h1-8,17H,(H,18,19)(H,20,23)(H,21,22,26)(H,24,25,27,28)
InChIKeyBSLKTIPMCXJKAQ-UHFFFAOYSA-N
XLogP0.36
TPSA181.65 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

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
5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole
CID 141157798
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
CID 141159995
4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole
CID 141290797

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole (CID 141001344) is 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole is c1c[nH]c(N2C(c3cn[nH]n3)=C(c3ncc[nH]3)OC2(c2nn[nH]n2)c2ccn[nH]2)c1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole?
The InChIKey is BSLKTIPMCXJKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N13O/c1-2-11(17-4-1)29-12(9-8-21-26-22-9)13(14-18-6-7-19-14)30-16(29,10-3-5-20-23-10)15-24-27-28-25-15/h1-8,17H,(H,18,19)(H,20,23)(H,21,22,26)(H,24,25,27,28).
What are the key properties of 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole?
5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole has a molecular weight of 403.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 141001344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).