icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole

C111H233N15O3S3 — CID 158087202

About icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole

icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole (PubChem CID 158087202) has the molecular formula C111H233N15O3S3 and a molecular weight of 1922.39 g/mol. Its IUPAC name is icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

• Compound Name: icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
• PubChem CID: 158087202
• Molecular Formula: C111H233N15O3S3
• Molecular Weight: 1922.39 g/mol
• Exact Mass: 1920.77
• IUPAC Name: icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
• SMILES: C1=CCN=C1.C1=NN=CC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nnco1.c1nncs1
• InChI: InChI=1S/2C4H4N2.C4H5N.20C4H10.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;20*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1/h2*1-4H;1-3H,4H2;20*4H,1-3H3;2-3H,1H2;4*1-3H;2*1-2H
• InChIKey: FNQQWFBKGKIJDR-UHFFFAOYSA-N
• XLogP: 39.52
• TPSA: 231.18 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.39
LogP ≤ 5	39.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The IUPAC name of icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole (CID 158087202) is icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole.

What is the SMILES notation for icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The canonical SMILES for icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole is C1=CCN=C1.C1=NN=CC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nnco1.c1nncs1.

What is the InChIKey of icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?

The InChIKey is FNQQWFBKGKIJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2.C4H5N.20C4H10.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;20*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1/h2*1-4H;1-3H,4H2;20*4H,1-3H3;2-3H,1H2;4*1-3H;2*1-2H.

What are the key properties of icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole?

icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole has a molecular weight of 1922.39 g/mol, XLogP of 39.52, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for icosakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyrimidine;2H-pyrrole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 158087202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).