[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate

C24H25N3O5 — CID 118256596

IUPAC[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate
SMILESCc1cc(NC(=O)C(OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)C(C)C)no1
InChIInChI=1S/C24H25N3O5/c1-15(2)21(23(29)25-19-14-16(3)32-27-19)31-24(30)20(17-10-6-4-7-11-17)26-22(28)18-12-8-5-9-13-18/h4-15,20-21H,1-3H3,(H,26,28)(H,25,27,29)
InChIKeyKZGRDOUIPAWVCK-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.66
Rot. Bonds8

About [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate

[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate (PubChem CID 118256596) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate
PubChem CID118256596
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate
SMILESCc1cc(NC(=O)C(OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)C(C)C)no1
InChIInChI=1S/C24H25N3O5/c1-15(2)21(23(29)25-19-14-16(3)32-27-19)31-24(30)20(17-10-6-4-7-11-17)26-22(28)18-12-8-5-9-13-18/h4-15,20-21H,1-3H3,(H,26,28)(H,25,27,29)
InChIKeyKZGRDOUIPAWVCK-UHFFFAOYSA-N
XLogP3.66
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate with MolForge

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
CID 55450290
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16571886
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
[3-(5-methyl-1,2-oxazol-3-yl)-2-oxobut-3-enyl] 2-benzamido-2-phenylacetate
CID 155149412
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
(2S)-2-(4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40792652
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate
CID 46645148
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 7323598
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27323769

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate?
The IUPAC name of [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate (CID 118256596) is [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate is Cc1cc(NC(=O)C(OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)C(C)C)no1.
What is the InChIKey of [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate?
The InChIKey is KZGRDOUIPAWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-15(2)21(23(29)25-19-14-16(3)32-27-19)31-24(30)20(17-10-6-4-7-11-17)26-22(28)18-12-8-5-9-13-18/h4-15,20-21H,1-3H3,(H,26,28)(H,25,27,29).
What are the key properties of [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate?
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate has a molecular weight of 435.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate is sourced from PubChem (CID 118256596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).