1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene

C68H96N8O4S4 — CID 159357751

IUPAC1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene
SMILESCC1=CC=C(C)C1.CC1=CN=C(C)C1.Cc1c[nH]c(C)c1.Cc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1coc(C)c1.Cc1csc(C)c1
InChIInChI=1S/C7H10.2C6H9N.2C6H8O.2C6H8S.C5H8N2.2C5H7NO.2C5H7NS/c1-6-3-4-7(2)5-6;3*1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4/h3-4H,5H2,1-2H3;4H,3H2,1-2H3;3-4,7H,1-2H3;4*3-4H,1-2H3;3H,1-2H3,(H,6,7);4*3H,1-2H3
InChIKeyLIDGPYPVFDCDDL-UHFFFAOYSA-N
MW1217.84 g/mol
LogP21.32
Rot. Bonds

About 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene

1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene (PubChem CID 159357751) has the molecular formula C68H96N8O4S4 and a molecular weight of 1217.84 g/mol. Its IUPAC name is 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene.

Molecular Properties

Compound Name1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene
PubChem CID159357751
Molecular FormulaC68H96N8O4S4
Molecular Weight1217.84 g/mol
Exact Mass1216.64
IUPAC Name1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene
SMILESCC1=CC=C(C)C1.CC1=CN=C(C)C1.Cc1c[nH]c(C)c1.Cc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1coc(C)c1.Cc1csc(C)c1
InChIInChI=1S/C7H10.2C6H9N.2C6H8O.2C6H8S.C5H8N2.2C5H7NO.2C5H7NS/c1-6-3-4-7(2)5-6;3*1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4/h3-4H,5H2,1-2H3;4H,3H2,1-2H3;3-4,7H,1-2H3;4*3-4H,1-2H3;3H,1-2H3,(H,6,7);4*3H,1-2H3
InChIKeyLIDGPYPVFDCDDL-UHFFFAOYSA-N
XLogP21.32
TPSA160.95 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.84
LogP ≤ 521.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene with MolForge

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Related Compounds

1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3R)-2,3-dimethylpentane;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;methane;2-methylbutane;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
CID 159801962
1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
CID 161161372
3-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-3-methylfuran;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylthiophene;2,2-difluoro-3,3-dimethylbutane;2,2-difluoro-4,4-dimethylpentane;1-(1,1-difluoroethoxy)-2,2-dimethylpropane;2,2-dimethylbutane;bis(3-fluoro-2,2-dimethylbutane);(3R)-3-fluoro-2,2-dimethylbutane;(3S)-3-fluoro-2,2-dimethylbutane;4-fluoro-2,2-dimethylpentane;1-(1-fluoroethoxy)-2,2-dimethylpropane;methane;2,2,3,3-tetramethylbutane;bis(2,2,3-trimethylbutane);(3R)-2,2,3-trimethylpentane;(3S)-2,2,3-trimethylpentane
CID 161251363
1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3R)-2,3-dimethylpentane;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;methane;2-methylbutane;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;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;2,2,3-trimethylbutane
CID 161743812
3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 91378309
2-[1-(furan-3-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,3-oxazole
CID 140981967
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;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;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;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;2-methylthiophene;3-methylthiophene
CID 157089703
5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;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 157096219
2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157102632
2-methylfuran;2-methyl-1,3,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157121352
3-tert-butyl-1-ethenylcyclopenta-1,3-diene;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-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole
CID 157169156

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene?
The IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene (CID 159357751) is 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene.
What is the SMILES notation for 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene?
The canonical SMILES for 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene is CC1=CC=C(C)C1.CC1=CN=C(C)C1.Cc1c[nH]c(C)c1.Cc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1coc(C)c1.Cc1csc(C)c1.
What is the InChIKey of 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene?
The InChIKey is LIDGPYPVFDCDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.2C6H9N.2C6H8O.2C6H8S.C5H8N2.2C5H7NO.2C5H7NS/c1-6-3-4-7(2)5-6;3*1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4/h3-4H,5H2,1-2H3;4H,3H2,1-2H3;3-4,7H,1-2H3;4*3-4H,1-2H3;3H,1-2H3,(H,6,7);4*3H,1-2H3.
What are the key properties of 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene?
1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene has a molecular weight of 1217.84 g/mol, XLogP of 21.32, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-3H-pyrrole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene is sourced from PubChem (CID 159357751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).