1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole

C43H48N4O5S2 — CID 159390686

IUPAC1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
SMILESCOc1c(C)cccc1-c1cc(C)no1.COc1c(C)cccc1-c1ncc(C)s1.COc1c(C)cccc1-c1nnc(C)s1.COc1ccccc1C
InChIInChI=1S/C12H13NO2.C12H13NOS.C11H12N2OS.C8H10O/c1-8-5-4-6-10(12(8)14-3)11-7-9(2)13-15-11;1-8-5-4-6-10(11(8)14-3)12-13-7-9(2)15-12;1-7-5-4-6-9(10(7)14-3)11-13-12-8(2)15-11;1-7-5-3-4-6-8(7)9-2/h2*4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyLMBMMTMTIOODJS-UHFFFAOYSA-N
MW765.01 g/mol
LogP11.24
Rot. Bonds7

About 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole

1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole (PubChem CID 159390686) has the molecular formula C43H48N4O5S2 and a molecular weight of 765.01 g/mol. Its IUPAC name is 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
PubChem CID159390686
Molecular FormulaC43H48N4O5S2
Molecular Weight765.01 g/mol
Exact Mass764.31
IUPAC Name1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
SMILESCOc1c(C)cccc1-c1cc(C)no1.COc1c(C)cccc1-c1ncc(C)s1.COc1c(C)cccc1-c1nnc(C)s1.COc1ccccc1C
InChIInChI=1S/C12H13NO2.C12H13NOS.C11H12N2OS.C8H10O/c1-8-5-4-6-10(12(8)14-3)11-7-9(2)13-15-11;1-8-5-4-6-10(11(8)14-3)12-13-7-9(2)15-12;1-7-5-4-6-9(10(7)14-3)11-13-12-8(2)15-11;1-7-5-3-4-6-8(7)9-2/h2*4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyLMBMMTMTIOODJS-UHFFFAOYSA-N
XLogP11.24
TPSA101.62 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.01
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole with MolForge

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Related Compounds

N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 160397487
bis(2-(difluoromethoxy)-3-methylbenzamide);N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 160403344
N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 160739974
N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;methane;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 160950645
bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 161464611
bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole
CID 167557864
3-(Difluoromethyl)-5-[2-[[5-(difluoromethyl)-1,3-thiazol-2-yl]oxy]-6-fluorophenyl]-1,2-oxazole;2-[2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenoxy]-1,3-thiazole-5-carbaldehyde
CID 167571867

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole (CID 159390686) is 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole is COc1c(C)cccc1-c1cc(C)no1.COc1c(C)cccc1-c1ncc(C)s1.COc1c(C)cccc1-c1nnc(C)s1.COc1ccccc1C.
What is the InChIKey of 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole?
The InChIKey is LMBMMTMTIOODJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C12H13NOS.C11H12N2OS.C8H10O/c1-8-5-4-6-10(12(8)14-3)11-7-9(2)13-15-11;1-8-5-4-6-10(11(8)14-3)12-13-7-9(2)15-12;1-7-5-4-6-9(10(7)14-3)11-13-12-8(2)15-11;1-7-5-3-4-6-8(7)9-2/h2*4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole?
1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole has a molecular weight of 765.01 g/mol, XLogP of 11.24, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 159390686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).