cumene;3-propan-2-yl-1,2-oxazole

C15H21NO — CID 164964210

IUPACcumene;3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1ccccc1.CC(C)c1ccon1
InChIInChI=1S/C9H12.C6H9NO/c1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-8-7-6/h3-8H,1-2H3;3-5H,1-2H3
InChIKeyCGEXTKJDLJUVSA-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.61
Rot. Bonds2

About cumene;3-propan-2-yl-1,2-oxazole

cumene;3-propan-2-yl-1,2-oxazole (PubChem CID 164964210) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is cumene;3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Namecumene;3-propan-2-yl-1,2-oxazole
PubChem CID164964210
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namecumene;3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1ccccc1.CC(C)c1ccon1
InChIInChI=1S/C9H12.C6H9NO/c1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-8-7-6/h3-8H,1-2H3;3-5H,1-2H3
InChIKeyCGEXTKJDLJUVSA-UHFFFAOYSA-N
XLogP4.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cumene;3-propan-2-yl-1,2-oxazole?
The IUPAC name of cumene;3-propan-2-yl-1,2-oxazole (CID 164964210) is cumene;3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for cumene;3-propan-2-yl-1,2-oxazole?
The canonical SMILES for cumene;3-propan-2-yl-1,2-oxazole is CC(C)c1ccccc1.CC(C)c1ccon1.
What is the InChIKey of cumene;3-propan-2-yl-1,2-oxazole?
The InChIKey is CGEXTKJDLJUVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H9NO/c1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-8-7-6/h3-8H,1-2H3;3-5H,1-2H3.
What are the key properties of cumene;3-propan-2-yl-1,2-oxazole?
cumene;3-propan-2-yl-1,2-oxazole has a molecular weight of 231.34 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 164964210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).