2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide

C18H23N3O2 — CID 138004669

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC1(C)CCN(CC(=O)NCc2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C18H23N3O2/c1-18(2)8-9-21(13-18)12-16(22)19-11-17-20-10-15(23-17)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3,(H,19,22)
InChIKeyGLZLMEBHUSMYEQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds5

About 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide

2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 138004669) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID138004669
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC1(C)CCN(CC(=O)NCc2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C18H23N3O2/c1-18(2)8-9-21(13-18)12-16(22)19-11-17-20-10-15(23-17)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3,(H,19,22)
InChIKeyGLZLMEBHUSMYEQ-UHFFFAOYSA-N
XLogP2.69
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide (CID 138004669) is 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide is CC1(C)CCN(CC(=O)NCc2ncc(-c3ccccc3)o2)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is GLZLMEBHUSMYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2)8-9-21(13-18)12-16(22)19-11-17-20-10-15(23-17)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3,(H,19,22).
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 138004669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).