1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one

C16H26N2O2 — CID 58374233

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
SMILESCC(C)(C)c1cc(CC(=O)C(C)(C)N2CCCC2)no1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)14-11-12(17-20-14)10-13(19)16(4,5)18-8-6-7-9-18/h11H,6-10H2,1-5H3
InChIKeyCLCHJAXSYHFZSK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.96
Rot. Bonds4

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one (PubChem CID 58374233) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
PubChem CID58374233
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
SMILESCC(C)(C)c1cc(CC(=O)C(C)(C)N2CCCC2)no1
InChIInChI=1S/C16H26N2O2/c1-15(2,3)14-11-12(17-20-14)10-13(19)16(4,5)18-8-6-7-9-18/h11H,6-10H2,1-5H3
InChIKeyCLCHJAXSYHFZSK-UHFFFAOYSA-N
XLogP2.96
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one (CID 58374233) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one is CC(C)(C)c1cc(CC(=O)C(C)(C)N2CCCC2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The InChIKey is CLCHJAXSYHFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2,3)14-11-12(17-20-14)10-13(19)16(4,5)18-8-6-7-9-18/h11H,6-10H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one is sourced from PubChem (CID 58374233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).