2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole

C162H185N45O5S7 — CID 162135090

About 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole

2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole (PubChem CID 162135090) has the molecular formula C162H185N45O5S7 and a molecular weight of 3067.04 g/mol. Its IUPAC name is 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole.

Molecular Properties

• Compound Name: 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole
• PubChem CID: 162135090
• Molecular Formula: C162H185N45O5S7
• Molecular Weight: 3067.04 g/mol
• Exact Mass: 3064.37
• IUPAC Name: 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole
• SMILES: CC1=NC=CC1.CC1=NC=CC1.CC1=Nc2ccccc2C1.Cc1cc2ccccc2nn1.Cc1cc2ccccc2o1.Cc1ccc2ccccc2n1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncn1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]n1.Cc1cnc2ccccc2n1.Cc1cnccn1.Cc1cncnn1.Cc1cncs1.Cc1cscn1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncccn1.Cc1nccnn1.Cc1ncco1.Cc1nccs1.Cc1ncncn1.Cc1nn[nH]n1
• InChI: InChI=1S/C10H9N.2C9H8N2.C9H9N.C9H8O.C8H7NO.C8H7NS.C6H7N.4C5H6N2.3C5H7N.C5H6O.C5H6S.3C4H5N3.C4H6N2.2C4H5NO.5C4H5NS.C3H5N3.C2H4N4/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)11-10-7;2*1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7-6;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;5*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-7-4;1-4-5-2-3-6-7-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-3-2-4-6-5-3;1-2-3-5-6-4-2/h2-7H,1H3;2*2-6H,1H3;2-5H,6H2,1H3;2-6H,1H3;2*2-5H,1H3;2-5H,1H3;4*2-4H,1H3;2*2,4H,3H2,1H3;2-4,6H,1H3;2*2-4H,1H3;3*2-3H,1H3;2-3H,1H3,(H,5,6);7*2-3H,1H3;2H,1H3,(H,4,5,6);1H3,(H,3,4,5,6)
• InChIKey: ZJECICWXEZQWLN-UHFFFAOYSA-N
• XLogP: 38.57
• TPSA: 655.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 53
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3067.04
LogP ≤ 5	38.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole?

The IUPAC name of 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole (CID 162135090) is 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole.

What is the SMILES notation for 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole?

The canonical SMILES for 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole is CC1=NC=CC1.CC1=NC=CC1.CC1=Nc2ccccc2C1.Cc1cc2ccccc2nn1.Cc1cc2ccccc2o1.Cc1ccc2ccccc2n1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccncn1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]n1.Cc1cnc2ccccc2n1.Cc1cnccn1.Cc1cncnn1.Cc1cncs1.Cc1cscn1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncccn1.Cc1nccnn1.Cc1ncco1.Cc1nccs1.Cc1ncncn1.Cc1nn[nH]n1.

What is the InChIKey of 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole?

The InChIKey is ZJECICWXEZQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.2C9H8N2.C9H9N.C9H8O.C8H7NO.C8H7NS.C6H7N.4C5H6N2.3C5H7N.C5H6O.C5H6S.3C4H5N3.C4H6N2.2C4H5NO.5C4H5NS.C3H5N3.C2H4N4/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)11-10-7;2*1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7-6;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;5*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-7-4;1-4-5-2-3-6-7-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-3-2-4-6-5-3;1-2-3-5-6-4-2/h2-7H,1H3;2*2-6H,1H3;2-5H,6H2,1H3;2-6H,1H3;2*2-5H,1H3;2-5H,1H3;4*2-4H,1H3;2*2,4H,3H2,1H3;2-4,6H,1H3;2*2-4H,1H3;3*2-3H,1H3;2-3H,1H3,(H,5,6);7*2-3H,1H3;2H,1H3,(H,4,5,6);1H3,(H,3,4,5,6).

What are the key properties of 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole?

2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole has a molecular weight of 3067.04 g/mol, XLogP of 38.57, 0 rotatable bonds, 4 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole is sourced from PubChem (CID 162135090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).