N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide

C19H25N3O2 — CID 47037357

IUPACN-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CCCC1c1cc(C)no1)c1ccccc1C
InChIInChI=1S/C19H25N3O2/c1-4-22(16-9-6-5-8-14(16)2)19(23)13-21-11-7-10-17(21)18-12-15(3)20-24-18/h5-6,8-9,12,17H,4,7,10-11,13H2,1-3H3
InChIKeyWWBKQPBOFKOABL-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.48
Rot. Bonds5

About N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide

N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 47037357) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID47037357
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CCCC1c1cc(C)no1)c1ccccc1C
InChIInChI=1S/C19H25N3O2/c1-4-22(16-9-6-5-8-14(16)2)19(23)13-21-11-7-10-17(21)18-12-15(3)20-24-18/h5-6,8-9,12,17H,4,7,10-11,13H2,1-3H3
InChIKeyWWBKQPBOFKOABL-UHFFFAOYSA-N
XLogP3.48
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide (CID 47037357) is N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide is CCN(C(=O)CN1CCCC1c1cc(C)no1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is WWBKQPBOFKOABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-22(16-9-6-5-8-14(16)2)19(23)13-21-11-7-10-17(21)18-12-15(3)20-24-18/h5-6,8-9,12,17H,4,7,10-11,13H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 47037357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).