bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene

C186H199N39O18S2 — CID 158883643

About bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene

bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene (PubChem CID 158883643) has the molecular formula C186H199N39O18S2 and a molecular weight of 3333.03 g/mol. Its IUPAC name is bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene.

Molecular Properties

• Compound Name: bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
• PubChem CID: 158883643
• Molecular Formula: C186H199N39O18S2
• Molecular Weight: 3333.03 g/mol
• Exact Mass: 3330.53
• IUPAC Name: bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
• SMILES: Cc1ccccc1.Cc1ccccn1.Cc1cccn1C.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1nc(-c2ccccc2)co1.Cc1nc(-c2ccccc2)co1.Cc1nc(-c2ccccn2)co1.Cc1nc(-c2ccccn2)co1.Cc1nc(-c2ccncc2)co1.Cc1nc(-c2ccncn2)co1.Cc1ncc(-c2ccoc2)o1.Cc1ncc(-c2ccoc2)o1.Cc1ncc(-c2nnco2)o1.Cc1ncc(C2=CCC=C2)o1.Cc1ncc(C2=CCC=C2)o1.Cc1ncc(C2=CCC=N2)o1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cc1nnco1
• InChI: InChI=1S/2C10H9NO.3C9H8N2O.2C9H9NO.C8H7N3O.C8H8N2O.2C8H7NO2.C7H8.C6H5N3O2.2C6H9N.3C6H7N.C5H8N2.4C5H6N2.C5H6O.C5H6S.C4H5NO.C4H5NS.C3H4N2O/c2*1-8-11-10(7-12-8)9-5-3-2-4-6-9;1-7-11-9(6-12-7)8-2-4-10-5-3-8;2*1-7-11-9(6-12-7)8-4-2-3-5-10-8;2*1-7-10-6-9(11-7)8-4-2-3-5-8;1-6-11-8(4-12-6)7-2-3-9-5-10-7;1-6-10-5-8(11-6)7-3-2-4-9-7;2*1-6-9-4-8(11-6)7-2-3-10-5-7;1-7-5-3-2-4-6-7;1-4-7-2-5(11-4)6-9-8-3-10-6;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;2*1-5-3-2-4-6-5;2*1-4-5-2-3-6-4;1-3-5-4-2-6-3/h2*2-7H,1H3;3*2-6H,1H3;2*2,4-6H,3H2,1H3;2-5H,1H3;3-5H,2H2,1H3;2*2-5H,1H3;2-6H,1H3;2-3H,1H3;2*3-5H,1-2H3;3*2-5H,1H3;3-4H,1-2H3;4*2-4H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3
• InChIKey: JDIKOEMVMOXHOP-UHFFFAOYSA-N
• XLogP: 44.00
• TPSA: 714.82 Ų
• H-Bond Acceptors: 59
• Rotatable Bonds: 12
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3333.03
LogP ≤ 5	44.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	59

Frequently Asked Questions

What is the IUPAC name of bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene?

The IUPAC name of bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene (CID 158883643) is bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene.

What is the SMILES notation for bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene?

The canonical SMILES for bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene is Cc1ccccc1.Cc1ccccn1.Cc1cccn1C.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1nc(-c2ccccc2)co1.Cc1nc(-c2ccccc2)co1.Cc1nc(-c2ccccn2)co1.Cc1nc(-c2ccccn2)co1.Cc1nc(-c2ccncc2)co1.Cc1nc(-c2ccncn2)co1.Cc1ncc(-c2ccoc2)o1.Cc1ncc(-c2ccoc2)o1.Cc1ncc(-c2nnco2)o1.Cc1ncc(C2=CCC=C2)o1.Cc1ncc(C2=CCC=C2)o1.Cc1ncc(C2=CCC=N2)o1.Cc1ncccn1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cc1nnco1.

What is the InChIKey of bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene?

The InChIKey is JDIKOEMVMOXHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9NO.3C9H8N2O.2C9H9NO.C8H7N3O.C8H8N2O.2C8H7NO2.C7H8.C6H5N3O2.2C6H9N.3C6H7N.C5H8N2.4C5H6N2.C5H6O.C5H6S.C4H5NO.C4H5NS.C3H4N2O/c2*1-8-11-10(7-12-8)9-5-3-2-4-6-9;1-7-11-9(6-12-7)8-2-4-10-5-3-8;2*1-7-11-9(6-12-7)8-4-2-3-5-10-8;2*1-7-10-6-9(11-7)8-4-2-3-5-8;1-6-11-8(4-12-6)7-2-3-9-5-10-7;1-6-10-5-8(11-6)7-3-2-4-9-7;2*1-6-9-4-8(11-6)7-2-3-10-5-7;1-7-5-3-2-4-6-7;1-4-7-2-5(11-4)6-9-8-3-10-6;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;2*1-5-3-2-4-6-5;2*1-4-5-2-3-6-4;1-3-5-4-2-6-3/h2*2-7H,1H3;3*2-6H,1H3;2*2,4-6H,3H2,1H3;2-5H,1H3;3-5H,2H2,1H3;2*2-5H,1H3;2-6H,1H3;2-3H,1H3;2*3-5H,1-2H3;3*2-5H,1H3;3-4H,1-2H3;4*2-4H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3.

What are the key properties of bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene?

bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene has a molecular weight of 3333.03 g/mol, XLogP of 44.00, 12 rotatable bonds, 0 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;bis(5-(furan-3-yl)-2-methyl-1,3-oxazole);2-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;bis(2-methyl-4-phenyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyridin-4-yl-1,3-oxazole;2-methylpyrimidine;4-methylpyrimidine;2-methyl-4-pyrimidin-4-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene;toluene is sourced from PubChem (CID 158883643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).