ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide

C72H143N7O5S3 — CID 159366247

About ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide

ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide (PubChem CID 159366247) has the molecular formula C72H143N7O5S3 and a molecular weight of 1283.18 g/mol. Its IUPAC name is ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide.

Molecular Properties

• Compound Name: ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide
• PubChem CID: 159366247
• Molecular Formula: C72H143N7O5S3
• Molecular Weight: 1283.18 g/mol
• Exact Mass: 1282.03
• IUPAC Name: ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NCCO1.CC1=NCCS1.CC1=NOCC1.CC1CCOCC1.CC1CCS(=O)CC1.CC1CCSCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cocn1
• InChI: InChI=1S/3C6H7N.C6H12OS.C6H12O.C6H12S.C4H5NO.2C4H7NO.C4H7NS.10C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-2-4-8(7)5-3-6;2*1-6-2-4-7-5-3-6;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4;10*1-2/h3*2-5H,1H3;6H,2-5H2,1H3;2*6H,2-5H2,1H3;2-3H,1H3;3*2-3H2,1H3;10*1-2H3
• InChIKey: LJDVQURCIBJTNP-UHFFFAOYSA-N
• XLogP: 22.53
• TPSA: 146.54 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1283.18
LogP ≤ 5	22.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide (CID 159366247) is ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide.

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

The canonical SMILES for ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=NCCO1.CC1=NCCS1.CC1=NOCC1.CC1CCOCC1.CC1CCS(=O)CC1.CC1CCSCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cocn1.

What is the InChIKey of ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide?

The InChIKey is LJDVQURCIBJTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C6H12OS.C6H12O.C6H12S.C4H5NO.2C4H7NO.C4H7NS.10C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-2-4-8(7)5-3-6;2*1-6-2-4-7-5-3-6;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4;10*1-2/h3*2-5H,1H3;6H,2-5H2,1H3;2*6H,2-5H2,1H3;2-3H,1H3;3*2-3H2,1H3;10*1-2H3.

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

ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide has a molecular weight of 1283.18 g/mol, XLogP of 22.53, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methyl-4,5-dihydro-1,3-oxazole;3-methyl-4,5-dihydro-1,2-oxazole;2-methyl-4,5-dihydro-1,3-thiazole;4-methyloxane;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylthiane;4-methylthiane 1-oxide is sourced from PubChem (CID 159366247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).