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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 18088526
1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86980331
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111504918
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 87045240
1-(5,5-dimethylhexyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86890674
1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007829
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 127810988
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111630637

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).