1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one

C13H20N2O2 — CID 115082322

IUPAC1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
SMILESCCN1CCC(Cc2nc(CC(C)=O)co2)C1
InChIInChI=1S/C13H20N2O2/c1-3-15-5-4-11(8-15)7-13-14-12(9-17-13)6-10(2)16/h9,11H,3-8H2,1-2H3
InChIKeyVXSAKCVZAKHWJE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.69
Rot. Bonds5

About 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one

1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one (PubChem CID 115082322) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
PubChem CID115082322
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
SMILESCCN1CCC(Cc2nc(CC(C)=O)co2)C1
InChIInChI=1S/C13H20N2O2/c1-3-15-5-4-11(8-15)7-13-14-12(9-17-13)6-10(2)16/h9,11H,3-8H2,1-2H3
InChIKeyVXSAKCVZAKHWJE-UHFFFAOYSA-N
XLogP1.69
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one (CID 115082322) is 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one is CCN1CCC(Cc2nc(CC(C)=O)co2)C1.
What is the InChIKey of 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one?
The InChIKey is VXSAKCVZAKHWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-5-4-11(8-15)7-13-14-12(9-17-13)6-10(2)16/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one?
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one is sourced from PubChem (CID 115082322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).