ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole

C16H30N2O2 — CID 158766972

IUPACethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
SMILESCC.CC.CC(C)c1ccno1.CC(C)c1ccon1
InChIInChI=1S/2C6H9NO.2C2H6/c1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-2/h2*3-5H,1-2H3;2*1-2H3
InChIKeyIPJPAMZDRWIFFH-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.65
Rot. Bonds2

About ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole

ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole (PubChem CID 158766972) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
PubChem CID158766972
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
SMILESCC.CC.CC(C)c1ccno1.CC(C)c1ccon1
InChIInChI=1S/2C6H9NO.2C2H6/c1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-2/h2*3-5H,1-2H3;2*1-2H3
InChIKeyIPJPAMZDRWIFFH-UHFFFAOYSA-N
XLogP5.65
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The IUPAC name of ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole (CID 158766972) is ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The canonical SMILES for ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole is CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.
What is the InChIKey of ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The InChIKey is IPJPAMZDRWIFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9NO.2C2H6/c1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-2/h2*3-5H,1-2H3;2*1-2H3.
What are the key properties of ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole has a molecular weight of 282.43 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 158766972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).