2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole

C40H50N10O6S4 — CID 159125234

IUPAC2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
SMILESCc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/6C4H5NO.4C4H5NS/c1-4-2-6-3-5-4;2*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;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4/h10*2-3H,1H3
InChIKeyKGEPDCFIVNMSDO-UHFFFAOYSA-N
MW895.17 g/mol
LogP11.70
Rot. Bonds

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

2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole (PubChem CID 159125234) has the molecular formula C40H50N10O6S4 and a molecular weight of 895.17 g/mol. Its IUPAC name is 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
PubChem CID159125234
Molecular FormulaC40H50N10O6S4
Molecular Weight895.17 g/mol
Exact Mass894.28
IUPAC Name2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
SMILESCc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/6C4H5NO.4C4H5NS/c1-4-2-6-3-5-4;2*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;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4/h10*2-3H,1H3
InChIKeyKGEPDCFIVNMSDO-UHFFFAOYSA-N
XLogP11.70
TPSA207.74 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500895.17
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole with MolForge

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Related Compounds

2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 159438867
3-Methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 165081055
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
2-Methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157871115
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole (CID 159125234) is 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole is Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1ncco1.Cc1nccs1.
What is the InChIKey of 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
The InChIKey is KGEPDCFIVNMSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H5NO.4C4H5NS/c1-4-2-6-3-5-4;2*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;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4/h10*2-3H,1H3.
What are the key properties of 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?
2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole has a molecular weight of 895.17 g/mol, XLogP of 11.70, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159125234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).