5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one

C17H20N2O2 — CID 154773404

IUPAC5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)c1cnc(-c2ccc(C3CCC(=O)N3)cc2)o1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)14-10-18-16(21-14)12-6-4-11(5-7-12)13-8-9-15(20)19-13/h4-7,10,13H,8-9H2,1-3H3,(H,19,20)
InChIKeyIGKJAMCZUXESQD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.59
Rot. Bonds2

About 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one

5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one (PubChem CID 154773404) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one
PubChem CID154773404
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)c1cnc(-c2ccc(C3CCC(=O)N3)cc2)o1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)14-10-18-16(21-14)12-6-4-11(5-7-12)13-8-9-15(20)19-13/h4-7,10,13H,8-9H2,1-3H3,(H,19,20)
InChIKeyIGKJAMCZUXESQD-UHFFFAOYSA-N
XLogP3.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one (CID 154773404) is 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one is CC(C)(C)c1cnc(-c2ccc(C3CCC(=O)N3)cc2)o1.
What is the InChIKey of 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one?
The InChIKey is IGKJAMCZUXESQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)14-10-18-16(21-14)12-6-4-11(5-7-12)13-8-9-15(20)19-13/h4-7,10,13H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one?
5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-tert-butyl-1,3-oxazol-2-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 154773404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).