ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)

C46H83N3O4S — CID 161360290

IUPACethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)
SMILESCC.CC.CC.CC.CC.CC.CC1=CC=CC1.Cc1ccco1.Cc1cccs1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1
InChIInChI=1S/3C6H9NO.C6H8.C5H6O.C5H6S.6C2H6/c3*1-4-5(2)8-6(3)7-4;1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;6*1-2/h3*1-3H3;2-4H,5H2,1H3;2*2-4H,1H3;6*1-2H3
InChIKeyVPBTXMYTVHRMSY-UHFFFAOYSA-N
MW774.25 g/mol
LogP16.49
Rot. Bonds

About ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)

ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole) (PubChem CID 161360290) has the molecular formula C46H83N3O4S and a molecular weight of 774.25 g/mol. Its IUPAC name is ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole).

Molecular Properties

Compound Nameethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)
PubChem CID161360290
Molecular FormulaC46H83N3O4S
Molecular Weight774.25 g/mol
Exact Mass773.61
IUPAC Nameethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)
SMILESCC.CC.CC.CC.CC.CC.CC1=CC=CC1.Cc1ccco1.Cc1cccs1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1
InChIInChI=1S/3C6H9NO.C6H8.C5H6O.C5H6S.6C2H6/c3*1-4-5(2)8-6(3)7-4;1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;6*1-2/h3*1-3H3;2-4H,5H2,1H3;2*2-4H,1H3;6*1-2H3
InChIKeyVPBTXMYTVHRMSY-UHFFFAOYSA-N
XLogP16.49
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.25
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole) 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

2,3-Dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)
CID 158125091
2,5-Dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157114063
Bis(2,3,4-trimethylfuran);bis(2,3,5-trimethylfuran);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,3,4-trimethylthiophene);bis(2,3,5-trimethylthiophene)
CID 157238555
4-Ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 158381591
2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 158599920
Bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)
CID 158833090
2,5-Di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene
CID 159879474
Ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;bis(2,4,5-trimethyl-1,3-oxazole)
CID 160022876
Bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene);propane
CID 160192532
Bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);4,5-di(propan-2-yl)-1,3-thiazole;bis(2,3-di(propan-2-yl)thiophene)
CID 160339287
Bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene);ethane
CID 161751958
Ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methyloxepine;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)
CID 163476526

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)?
The IUPAC name of ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole) (CID 161360290) is ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole).
What is the SMILES notation for ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)?
The canonical SMILES for ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole) is CC.CC.CC.CC.CC.CC.CC1=CC=CC1.Cc1ccco1.Cc1cccs1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.
What is the InChIKey of ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)?
The InChIKey is VPBTXMYTVHRMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9NO.C6H8.C5H6O.C5H6S.6C2H6/c3*1-4-5(2)8-6(3)7-4;1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;6*1-2/h3*1-3H3;2-4H,5H2,1H3;2*2-4H,1H3;6*1-2H3.
What are the key properties of ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)?
ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole) has a molecular weight of 774.25 g/mol, XLogP of 16.49, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole) is sourced from PubChem (CID 161360290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).