1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole

C68H60N4O4S4 — CID 160771209

IUPAC1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole
SMILESCc1coc2ccccc12.Cc1csc2ccccc12.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cc1occ2ccccc12.Cc1onc2ccccc12.Cc1scc2ccccc12.Cc1snc2ccccc12
InChIInChI=1S/2C9H8O.2C9H8S.2C8H7NO.2C8H7NS/c1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-6-7-4-2-3-5-8(7)9-10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-7-4-2-3-5-8(7)9-10-6;1-6-7-4-2-3-5-8(7)10-9-6/h4*2-6H,1H3;4*2-5H,1H3
InChIKeyRZIMWSULKXSEOP-UHFFFAOYSA-N
MW1125.52 g/mol
LogP21.38
Rot. Bonds

About 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole

1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole (PubChem CID 160771209) has the molecular formula C68H60N4O4S4 and a molecular weight of 1125.52 g/mol. Its IUPAC name is 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole.

Molecular Properties

Compound Name1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole
PubChem CID160771209
Molecular FormulaC68H60N4O4S4
Molecular Weight1125.52 g/mol
Exact Mass1124.35
IUPAC Name1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole
SMILESCc1coc2ccccc12.Cc1csc2ccccc12.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cc1occ2ccccc12.Cc1onc2ccccc12.Cc1scc2ccccc12.Cc1snc2ccccc12
InChIInChI=1S/2C9H8O.2C9H8S.2C8H7NO.2C8H7NS/c1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-6-7-4-2-3-5-8(7)9-10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-7-4-2-3-5-8(7)9-10-6;1-6-7-4-2-3-5-8(7)10-9-6/h4*2-6H,1H3;4*2-5H,1H3
InChIKeyRZIMWSULKXSEOP-UHFFFAOYSA-N
XLogP21.38
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001125.52
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole;1-methyl-1H-indene
CID 158014647
1-Phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole
CID 158049427
Bis(2,3-dimethylfuran);bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene
CID 159425118
2,5-Dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1,2-benzoxazole;3,6-dimethyl-2,1-benzoxazole
CID 161088516
5-[9,14-Bis[3-(4-decoxyphenyl)-1,2-oxazol-5-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-(4-decoxyphenyl)-1,2-oxazole
CID 122209950

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole?
The IUPAC name of 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole (CID 160771209) is 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole.
What is the SMILES notation for 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole?
The canonical SMILES for 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole is Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1noc2ccccc12.Cc1nsc2ccccc12.Cc1occ2ccccc12.Cc1onc2ccccc12.Cc1scc2ccccc12.Cc1snc2ccccc12.
What is the InChIKey of 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole?
The InChIKey is RZIMWSULKXSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8O.2C9H8S.2C8H7NO.2C8H7NS/c1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-6-7-4-2-3-5-8(7)9-10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-7-4-2-3-5-8(7)9-10-6;1-6-7-4-2-3-5-8(7)10-9-6/h4*2-6H,1H3;4*2-5H,1H3.
What are the key properties of 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole?
1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole has a molecular weight of 1125.52 g/mol, XLogP of 21.38, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-benzofuran;3-methyl-1-benzofuran;3-methyl-1,2-benzothiazole;3-methyl-2,1-benzothiazole;1-methyl-2-benzothiophene;3-methyl-1-benzothiophene;3-methyl-1,2-benzoxazole;3-methyl-2,1-benzoxazole is sourced from PubChem (CID 160771209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).