ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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

C76H147N9O8S3 — CID 159738992

About ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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

ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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 (PubChem CID 159738992) has the molecular formula C76H147N9O8S3 and a molecular weight of 1411.27 g/mol. Its IUPAC name is ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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.

Molecular Properties

• Compound Name: ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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
• PubChem CID: 159738992
• Molecular Formula: C76H147N9O8S3
• Molecular Weight: 1411.27 g/mol
• Exact Mass: 1410.05
• IUPAC Name: ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NCCO1.CC1=NCCS1.CC1CC=NO1.CC1CCCO1.Cc1cc[nH]c1.Cc1cccs1.Cc1ccoc1.Cc1ccon1.Cc1cnco1.Cc1cocn1.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/C5H7N.C5H6O.C5H10O.C5H6S.2C4H5NO.C4H7NO.2C4H5NO.C4H7NO.C4H7NS.C4H5NS.12C2H6/c2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;2*1-4-5-2-3-6-4;12*1-2/h2-4,6H,1H3;2-4H,1H3;5H,2-4H2,1H3;2-4H,1H3;2*2-3H,1H3;2-3H2,1H3;2*2-3H,1H3;3-4H,2H2,1H3;2-3H2,1H3;2-3H,1H3;12*1-2H3
• InChIKey: NCEYCEPSALCXFX-UHFFFAOYSA-N
• XLogP: 26.22
• TPSA: 210.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.27
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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 (CID 159738992) is ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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.

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

The canonical SMILES for ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NCCO1.CC1=NCCS1.CC1CC=NO1.CC1CCCO1.Cc1cc[nH]c1.Cc1cccs1.Cc1ccoc1.Cc1ccon1.Cc1cnco1.Cc1cocn1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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?

The InChIKey is NCEYCEPSALCXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H6O.C5H10O.C5H6S.2C4H5NO.C4H7NO.2C4H5NO.C4H7NO.C4H7NS.C4H5NS.12C2H6/c2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;2*1-4-5-2-3-6-4;12*1-2/h2-4,6H,1H3;2-4H,1H3;5H,2-4H2,1H3;2-4H,1H3;2*2-3H,1H3;2-3H2,1H3;2*2-3H,1H3;3-4H,2H2,1H3;2-3H2,1H3;2-3H,1H3;12*1-2H3.

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

ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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 has a molecular weight of 1411.27 g/mol, XLogP of 26.22, 0 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;3-methylfuran;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 is sourced from PubChem (CID 159738992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).