2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole

C15H21NO — CID 86033279

IUPAC2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole
SMILESCCC(C)(CC)N1OCC=C1c1ccccc1
InChIInChI=1S/C15H21NO/c1-4-15(3,5-2)16-14(11-12-17-16)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3
InChIKeyGTXSQGWIBOWKOO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.85
Rot. Bonds4

About 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole

2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole (PubChem CID 86033279) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole
PubChem CID86033279
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole
SMILESCCC(C)(CC)N1OCC=C1c1ccccc1
InChIInChI=1S/C15H21NO/c1-4-15(3,5-2)16-14(11-12-17-16)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3
InChIKeyGTXSQGWIBOWKOO-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole?
The IUPAC name of 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole (CID 86033279) is 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole.
What is the SMILES notation for 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole?
The canonical SMILES for 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole is CCC(C)(CC)N1OCC=C1c1ccccc1.
What is the InChIKey of 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole?
The InChIKey is GTXSQGWIBOWKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-15(3,5-2)16-14(11-12-17-16)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole?
2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)-3-phenyl-5H-1,2-oxazole is sourced from PubChem (CID 86033279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).