[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate

C23H24N2O4 — CID 53497788

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate
SMILESCCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C23H24N2O4/c1-3-10-19(22(26)24-20-15-16(2)29-25-20)28-23(27)21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-15,19,21H,3,10H2,1-2H3,(H,24,25,26)
InChIKeyRFEHDYSSXYHOST-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.47
Rot. Bonds8

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate (PubChem CID 53497788) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate
PubChem CID53497788
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate
SMILESCCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C23H24N2O4/c1-3-10-19(22(26)24-20-15-16(2)29-25-20)28-23(27)21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-15,19,21H,3,10H2,1-2H3,(H,24,25,26)
InChIKeyRFEHDYSSXYHOST-UHFFFAOYSA-N
XLogP4.47
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate 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

3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307528
1-((5-Methylisoxazol-3(2H)-ylidene)amino)-1-oxobutan-2-yl 2-benzamido-2-phenylacetate
CID 2916405
Ethyl 3,3,3-trifluoro-2-[(5-methyl-3-isoxazolyl)amino]-2-[(phenylacetyl)amino]propanoate
CID 5113773
[1-Oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 24980797
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 2100421
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2116546
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-nitrobenzoate
CID 2454258
US9789100, Example 19
CID 139208337
4-Cyano-N-(5-phenylisoxazol-3-yl)morpholine-2-carboxamide
CID 141758444
2'-(5-Methyl-isoxazol-3-ylcarbamoyl)-biphenyl-2-carboxylic acid
CID 652609
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 2116593
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 2398944

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate (CID 53497788) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate is CCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate?
The InChIKey is RFEHDYSSXYHOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-10-19(22(26)24-20-15-16(2)29-25-20)28-23(27)21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-15,19,21H,3,10H2,1-2H3,(H,24,25,26).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate has a molecular weight of 392.46 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate is sourced from PubChem (CID 53497788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).