1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)

C65H97N7O7S3 — CID 157465996

IUPAC1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
SMILESCC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccno1.Cc1ccon1.Cc1ccon1.Cc1cnoc1.Cc1cnoc1
InChIInChI=1S/2C6H9N.2C5H6O.3C5H6S.5C4H5NO.4C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;5*1-5-3-2-4-6-5;2*1-4-2-5-6-3-4;2*1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2/h2*3-5H,1-2H3;5*2-4H,1H3;5*2-3H,1H3;4*1-2H3
InChIKeyBUMIBXZZADOMNL-UHFFFAOYSA-N
MW1184.73 g/mol
LogP21.03
Rot. Bonds

About 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)

1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene) (PubChem CID 157465996) has the molecular formula C65H97N7O7S3 and a molecular weight of 1184.73 g/mol. Its IUPAC name is 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene).

Molecular Properties

Compound Name1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
PubChem CID157465996
Molecular FormulaC65H97N7O7S3
Molecular Weight1184.73 g/mol
Exact Mass1183.66
IUPAC Name1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
SMILESCC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccno1.Cc1ccon1.Cc1ccon1.Cc1cnoc1.Cc1cnoc1
InChIInChI=1S/2C6H9N.2C5H6O.3C5H6S.5C4H5NO.4C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;5*1-5-3-2-4-6-5;2*1-4-2-5-6-3-4;2*1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2/h2*3-5H,1-2H3;5*2-4H,1H3;5*2-3H,1H3;4*1-2H3
InChIKeyBUMIBXZZADOMNL-UHFFFAOYSA-N
XLogP21.03
TPSA166.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.73
LogP ≤ 521.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene) with MolForge

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Related Compounds

2-Methyl-3-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;3-methyl-4-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-yl-1,2-oxazol-2-ium;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene
CID 157091894
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
2-Tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
CID 157217434
1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran
CID 157267147
Bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene
CID 157497014
ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;5-methyl-3H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157516756
2,3-Dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;methane;1,2,3-trimethylpyrrole
CID 157530430
Ethane;methane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157576652
2,4-Dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;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-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole
CID 157702497
Ethane;methane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methylthiophene;3-methylthiophene
CID 157838066
bis(2,3-dimethylfuran);2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene);3,4-dimethylthiophene
CID 157852963
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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)?
The IUPAC name of 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene) (CID 157465996) is 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene).
What is the SMILES notation for 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)?
The canonical SMILES for 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene) is CC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccno1.Cc1ccon1.Cc1ccon1.Cc1cnoc1.Cc1cnoc1.
What is the InChIKey of 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)?
The InChIKey is BUMIBXZZADOMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.2C5H6O.3C5H6S.5C4H5NO.4C2H6/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;5*1-5-3-2-4-6-5;2*1-4-2-5-6-3-4;2*1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2/h2*3-5H,1-2H3;5*2-4H,1H3;5*2-3H,1H3;4*1-2H3.
What are the key properties of 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)?
1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene) has a molecular weight of 1184.73 g/mol, XLogP of 21.03, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene) is sourced from PubChem (CID 157465996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).