3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole

C36H45N9O3S6 — CID 159169573

IUPAC3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
SMILESCc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1nccs1
InChIInChI=1S/3C4H5NO.6C4H5NS/c1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h9*2-3H,1H3
InChIKeyKLMXDJGGYWWEFO-UHFFFAOYSA-N
MW844.22 g/mol
LogP11.66
Rot. Bonds

About 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole

3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole (PubChem CID 159169573) has the molecular formula C36H45N9O3S6 and a molecular weight of 844.22 g/mol. Its IUPAC name is 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
PubChem CID159169573
Molecular FormulaC36H45N9O3S6
Molecular Weight844.22 g/mol
Exact Mass843.20
IUPAC Name3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
SMILESCc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1nccs1
InChIInChI=1S/3C4H5NO.6C4H5NS/c1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h9*2-3H,1H3
InChIKeyKLMXDJGGYWWEFO-UHFFFAOYSA-N
XLogP11.66
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500844.22
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole 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

4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole
CID 157168276
5-Tert-butylcyclohex-2-en-1-one;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 157574776
2-Methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 157580542
5-tert-butylcyclohex-2-en-1-one;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-5-ethynyl-2H-pyrrole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 157743879
4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157748779
1-tert-butyl-2,3-dihydropyridin-6-one;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-2H-pyrrol-5-one
CID 157853244
3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
CID 158077506
4-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 158181612
2-Methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);bis(5-methyl-1,2-oxazole);3-methyl-1,3-oxazol-3-ium;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methyl-1,3-thiazol-3-ium
CID 158190521
4-Tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole
CID 158249171
4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 158379002
4-Tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one
CID 158685693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole (CID 159169573) is 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole is Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1nccs1.
What is the InChIKey of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The InChIKey is KLMXDJGGYWWEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H5NO.6C4H5NS/c1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h9*2-3H,1H3.
What are the key properties of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole has a molecular weight of 844.22 g/mol, XLogP of 11.66, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159169573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).