2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide

C17H21N3O2 — CID 3070617

IUPAC2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(CN1CCCC1)C(=O)Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H21N3O2/c1-13(12-20-9-5-6-10-20)17(21)18-16-11-15(19-22-16)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,21)
InChIKeyJSIQDVPVNKPIRC-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.01
Rot. Bonds5

About 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide

2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 3070617) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide
PubChem CID3070617
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(CN1CCCC1)C(=O)Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H21N3O2/c1-13(12-20-9-5-6-10-20)17(21)18-16-11-15(19-22-16)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,21)
InChIKeyJSIQDVPVNKPIRC-UHFFFAOYSA-N
XLogP3.01
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide (CID 3070617) is 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide is CC(CN1CCCC1)C(=O)Nc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is JSIQDVPVNKPIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(12-20-9-5-6-10-20)17(21)18-16-11-15(19-22-16)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,21).
What are the key properties of 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide?
2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 3070617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).