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

C23H23N3O5 — CID 2916405

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate
SMILESCCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C23H23N3O5/c1-3-18(22(28)24-19-14-15(2)31-26-19)30-23(29)20(16-10-6-4-7-11-16)25-21(27)17-12-8-5-9-13-17/h4-14,18,20H,3H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyBSWHFFXLKFKORZ-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.41
Rot. Bonds8

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

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate (PubChem CID 2916405) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate
PubChem CID2916405
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate
SMILESCCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C23H23N3O5/c1-3-18(22(28)24-19-14-15(2)31-26-19)30-23(29)20(16-10-6-4-7-11-16)25-21(27)17-12-8-5-9-13-17/h4-14,18,20H,3H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyBSWHFFXLKFKORZ-UHFFFAOYSA-N
XLogP3.41
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 2118247
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2514844
Ethyl 2-benzamido-2-(5-mEthylisoxazol-3-yl)amino-3,3,3-trifluoropropionate
CID 389130
N-(3-Acetyl-phenyl)-N'-(5-methyl-isoxazol-3-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 648712
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2551337
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-nitrobenzoate
CID 2454258
4-Cyano-N-(5-phenylisoxazol-3-yl)morpholine-2-carboxamide
CID 141758444
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398165
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 2483085
2-(5-Methylisoxazol-3-ylamino)-2-oxoethyl 2-(furan-2-carboxamido)-3-phenylpropanoate
CID 3000182
Benzoic acid, 3-[[4-[(5-methyl-3-isoxazolyl)amino]-1,4-dioxobutyl][2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]amino]-, methyl ester (9CI)
CID 3210833
[1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 2,2-diphenylacetate
CID 53497788

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate (CID 2916405) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate is CCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate?
The InChIKey is BSWHFFXLKFKORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-3-18(22(28)24-19-14-15(2)31-26-19)30-23(29)20(16-10-6-4-7-11-16)25-21(27)17-12-8-5-9-13-17/h4-14,18,20H,3H2,1-2H3,(H,25,27)(H,24,26,28).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate has a molecular weight of 421.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate is sourced from PubChem (CID 2916405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).