ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene

C71H124N4O4S2 — CID 158574658

IUPACethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccoc1.Cc1ccsc1.Cc1ncco1.Cn1cccc1
InChIInChI=1S/C7H8.3C5H7N.3C5H6O.2C5H6S.C4H5NO.10C2H6/c1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;10*1-2/h2-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;5*2-4H,1H3;2-3H,1H3;10*1-2H3
InChIKeyHSMYMDQIOQENLS-UHFFFAOYSA-N
MW1161.93 g/mol
LogP25.79
Rot. Bonds

About ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene

ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene (PubChem CID 158574658) has the molecular formula C71H124N4O4S2 and a molecular weight of 1161.93 g/mol. Its IUPAC name is ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene.

Molecular Properties

Compound Nameethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
PubChem CID158574658
Molecular FormulaC71H124N4O4S2
Molecular Weight1161.93 g/mol
Exact Mass1160.91
IUPAC Nameethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccoc1.Cc1ccsc1.Cc1ncco1.Cn1cccc1
InChIInChI=1S/C7H8.3C5H7N.3C5H6O.2C5H6S.C4H5NO.10C2H6/c1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;10*1-2/h2-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;5*2-4H,1H3;2-3H,1H3;10*1-2H3
InChIKeyHSMYMDQIOQENLS-UHFFFAOYSA-N
XLogP25.79
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.93
LogP ≤ 525.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene 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-({[5-Methyl-2-(3-methylthiophen-2-YL)-1,3-oxazol-4-YL]methyl}sulfanyl)-N-[(pyridin-3-YL)methyl]acetamide
CID 20860341
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3S)-3-propan-2-ylcyclopentan-1-amine;(3R)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine
CID 159211957
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;bis((2R)-1,2-dimethylazetidine);(2S)-1,2-dimethylaziridine;ethane;(2S)-2-methylazetidine;(2R)-2-methylazetidine;(2S)-2-methylaziridine;methylcyclobutane;(2S)-2-methyloxirane;(2R)-2-methyloxirane;(2R)-1-methyl-2-propan-2-ylaziridine;2-methyl-6-(trifluoromethyl)pyridine
CID 159610527
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4882423
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 126458208
5-[[6-[2-(5-Methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15288932
4-[[6-[2-(5-Methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione
CID 18989567
2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole
CID 141031455
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 141039475
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 141189605
5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
CID 141222224
2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 156779601

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene?
The IUPAC name of ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene (CID 158574658) is ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene.
What is the SMILES notation for ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene?
The canonical SMILES for ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccoc1.Cc1ccsc1.Cc1ncco1.Cn1cccc1.
What is the InChIKey of ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene?
The InChIKey is HSMYMDQIOQENLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C5H7N.3C5H6O.2C5H6S.C4H5NO.10C2H6/c1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;10*1-2/h2-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;5*2-4H,1H3;2-3H,1H3;10*1-2H3.
What are the key properties of ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene?
ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene has a molecular weight of 1161.93 g/mol, XLogP of 25.79, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene is sourced from PubChem (CID 158574658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).