3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one

C15H24N2O2 — CID 22586686

IUPAC3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC1c1cc(C(C)C)on1
InChIInChI=1S/C15H24N2O2/c1-10(2)8-15(18)17-7-5-6-13(17)12-9-14(11(3)4)19-16-12/h9-11,13H,5-8H2,1-4H3
InChIKeyLIKSQRXQKXJFLU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.51
Rot. Bonds4

About 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one

3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 22586686) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID22586686
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC1c1cc(C(C)C)on1
InChIInChI=1S/C15H24N2O2/c1-10(2)8-15(18)17-7-5-6-13(17)12-9-14(11(3)4)19-16-12/h9-11,13H,5-8H2,1-4H3
InChIKeyLIKSQRXQKXJFLU-UHFFFAOYSA-N
XLogP3.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one (CID 22586686) is 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCCC1c1cc(C(C)C)on1.
What is the InChIKey of 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is LIKSQRXQKXJFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)8-15(18)17-7-5-6-13(17)12-9-14(11(3)4)19-16-12/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one?
3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 22586686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).