ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

C64H121N7O6S3 — CID 158779360

About ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 158779360) has the molecular formula C64H121N7O6S3 and a molecular weight of 1180.92 g/mol. Its IUPAC name is ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

• Compound Name: ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
• PubChem CID: 158779360
• Molecular Formula: C64H121N7O6S3
• Molecular Weight: 1180.92 g/mol
• Exact Mass: 1179.85
• IUPAC Name: ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC=NO1.CC1CCCO1.Cc1cc[nH]c1.Cc1cccs1.Cc1ccon1.Cc1ccsc1.Cc1cnco1.Cc1cocn1.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/C5H7N.C5H10O.2C5H6S.4C4H5NO.C4H7NO.C4H5NS.10C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4;10*1-2/h2-4,6H,1H3;5H,2-4H2,1H3;2*2-4H,1H3;4*2-3H,1H3;3-4H,2H2,1H3;2-3H,1H3;10*1-2H3
• InChIKey: IQWIRETUJLXSFG-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 163.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1180.92
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The IUPAC name of ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (CID 158779360) is ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

What is the SMILES notation for ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The canonical SMILES for ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC=NO1.CC1CCCO1.Cc1cc[nH]c1.Cc1cccs1.Cc1ccon1.Cc1ccsc1.Cc1cnco1.Cc1cocn1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The InChIKey is IQWIRETUJLXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H10O.2C5H6S.4C4H5NO.C4H7NO.C4H5NS.10C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-5-2-3-6-4;10*1-2/h2-4,6H,1H3;5H,2-4H2,1H3;2*2-4H,1H3;4*2-3H,1H3;3-4H,2H2,1H3;2-3H,1H3;10*1-2H3.

What are the key properties of ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 1180.92 g/mol, XLogP of 23.05, 0 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyloxolane;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158779360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).