methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate

C14H14N2O4 — CID 44542358

IUPACmethyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](NC(=O)c1cc(C)on1)c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-9-8-11(16-20-9)13(17)15-12(14(18)19-2)10-6-4-3-5-7-10/h3-8,12H,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeySFOZIFYNFDXGKL-LBPRGKRZSA-N
MW274.28 g/mol
LogP1.63
Rot. Bonds4

About methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate

methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate (PubChem CID 44542358) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
PubChem CID44542358
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](NC(=O)c1cc(C)on1)c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-9-8-11(16-20-9)13(17)15-12(14(18)19-2)10-6-4-3-5-7-10/h3-8,12H,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeySFOZIFYNFDXGKL-LBPRGKRZSA-N
XLogP1.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate 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-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
[3-(5-methyl-1,2-oxazol-3-yl)-2-oxobut-3-enyl] 2-benzamido-2-phenylacetate
CID 155149412
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478219
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl (2R)-2-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carbonyl]amino]-2-phenylacetate
CID 44542058
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
CID 12580941
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 94675875

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate (CID 44542358) is methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate is COC(=O)[C@@H](NC(=O)c1cc(C)on1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate?
The InChIKey is SFOZIFYNFDXGKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-8-11(16-20-9)13(17)15-12(14(18)19-2)10-6-4-3-5-7-10/h3-8,12H,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate?
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate has a molecular weight of 274.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 44542358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).