ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine

C80H151N17O3S3 — CID 158050929

About ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine

ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine (PubChem CID 158050929) has the molecular formula C80H151N17O3S3 and a molecular weight of 1495.40 g/mol. Its IUPAC name is ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine.

Molecular Properties

• Compound Name: ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine
• PubChem CID: 158050929
• Molecular Formula: C80H151N17O3S3
• Molecular Weight: 1495.40 g/mol
• Exact Mass: 1494.13
• IUPAC Name: ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cnncn1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccnn1.CC(C)c1ncncn1
• InChI: InChI=1S/3C6H9N3.C6H10N2.3C6H9NO.3C6H9NS.10C2H6/c1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-8-9-4-7-6;1-5(2)6-7-3-4-8-9-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;10*1-2/h3*3-5H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;10*1-2H3
• InChIKey: FJLYSWFSCOJSBG-UHFFFAOYSA-N
• XLogP: 26.97
• TPSA: 261.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1495.40
LogP ≤ 5	26.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine?

The IUPAC name of ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine (CID 158050929) is ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine.

What is the SMILES notation for ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine?

The canonical SMILES for ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cnncn1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccnn1.CC(C)c1ncncn1.

What is the InChIKey of ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine?

The InChIKey is FJLYSWFSCOJSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9N3.C6H10N2.3C6H9NO.3C6H9NS.10C2H6/c1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-8-9-4-7-6;1-5(2)6-7-3-4-8-9-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;10*1-2/h3*3-5H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;10*1-2H3.

What are the key properties of ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine?

ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine has a molecular weight of 1495.40 g/mol, XLogP of 26.97, 10 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 158050929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).