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

C21H19N3O3 — CID 95147643

IUPACN-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2ccccc2)on1)C(=O)C[C@H]1NC(=O)c2ccccc21
InChIInChI=1S/C21H19N3O3/c1-24(13-15-11-19(27-23-15)14-7-3-2-4-8-14)20(25)12-18-16-9-5-6-10-17(16)21(26)22-18/h2-11,18H,12-13H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyXNFSSZZWIZWQEW-GOSISDBHSA-N
MW361.40 g/mol
LogP3.17
Rot. Bonds5

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

N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 95147643) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID95147643
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2ccccc2)on1)C(=O)C[C@H]1NC(=O)c2ccccc21
InChIInChI=1S/C21H19N3O3/c1-24(13-15-11-19(27-23-15)14-7-3-2-4-8-14)20(25)12-18-16-9-5-6-10-17(16)21(26)22-18/h2-11,18H,12-13H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyXNFSSZZWIZWQEW-GOSISDBHSA-N
XLogP3.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-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-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 162916581
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 124757117
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 95140328
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 95875059
(3R)-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95721467
2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid
CID 43656694
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide (CID 95147643) is N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide is CN(Cc1cc(-c2ccccc2)on1)C(=O)C[C@H]1NC(=O)c2ccccc21.
What is the InChIKey of N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is XNFSSZZWIZWQEW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-24(13-15-11-19(27-23-15)14-7-3-2-4-8-14)20(25)12-18-16-9-5-6-10-17(16)21(26)22-18/h2-11,18H,12-13H2,1H3,(H,22,26)/t18-/m1/s1.
What are the key properties of N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 95147643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).