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

C55H77N11O5S6 — CID 160696716

IUPACbis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole)
SMILESCc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1
InChIInChI=1S/5C5H7NO.6C5H7NS/c2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4/h11*3H,1-2H3
InChIKeyRQCAFUCYKILVER-UHFFFAOYSA-N
MW1164.69 g/mol
LogP17.02
Rot. Bonds

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

bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole) (PubChem CID 160696716) has the molecular formula C55H77N11O5S6 and a molecular weight of 1164.69 g/mol. Its IUPAC name is bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole).

Molecular Properties

Compound Namebis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole)
PubChem CID160696716
Molecular FormulaC55H77N11O5S6
Molecular Weight1164.69 g/mol
Exact Mass1163.44
IUPAC Namebis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole)
SMILESCc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1
InChIInChI=1S/5C5H7NO.6C5H7NS/c2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4/h11*3H,1-2H3
InChIKeyRQCAFUCYKILVER-UHFFFAOYSA-N
XLogP17.02
TPSA207.49 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001164.69
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-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
2,5-Dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole
CID 144982112
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
bis(2,4-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2-thiazole)
CID 157325696
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
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
CID 157734609
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
2-Tert-butyl-5-methylthiophene;2,4-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-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 157751233
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

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole)?
The IUPAC name of bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole) (CID 160696716) is bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole).
What is the SMILES notation for bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole)?
The canonical SMILES for bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole) is Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1.
What is the InChIKey of bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole)?
The InChIKey is RQCAFUCYKILVER-UHFFFAOYSA-N. The full InChI is InChI=1S/5C5H7NO.6C5H7NS/c2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4/h11*3H,1-2H3.
What are the key properties of bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole)?
bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole) has a molecular weight of 1164.69 g/mol, XLogP of 17.02, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole) is sourced from PubChem (CID 160696716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).