[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate

C21H19N3O5 — CID 55835853

IUPAC[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate
SMILESCC(OC(=O)c1ccc(-c2cnco2)cc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H19N3O5/c1-14(19(25)24-21(27)23-11-15-5-3-2-4-6-15)29-20(26)17-9-7-16(8-10-17)18-12-22-13-28-18/h2-10,12-14H,11H2,1H3,(H2,23,24,25,27)
InChIKeyWFIAGNVDPOGLRJ-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.91
Rot. Bonds6

About [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate (PubChem CID 55835853) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate.

Molecular Properties

Compound Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate
PubChem CID55835853
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate
SMILESCC(OC(=O)c1ccc(-c2cnco2)cc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H19N3O5/c1-14(19(25)24-21(27)23-11-15-5-3-2-4-6-15)29-20(26)17-9-7-16(8-10-17)18-12-22-13-28-18/h2-10,12-14H,11H2,1H3,(H2,23,24,25,27)
InChIKeyWFIAGNVDPOGLRJ-UHFFFAOYSA-N
XLogP2.91
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958469
[(2S)-3-oxopentan-2-yl] 4-(1,3-oxazol-5-yl)benzoate
CID 97313933
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959179
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 55419042
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133546
[1-(benzylamino)-1-oxopropan-2-yl] 4-(4-acetyloxyphenyl)benzoate
CID 22830846
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8954963
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 46619422
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310531
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 46619463
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate
CID 18123327
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506948

Frequently Asked Questions

What is the IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate?
The IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate (CID 55835853) is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate.
What is the SMILES notation for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate?
The canonical SMILES for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate is CC(OC(=O)c1ccc(-c2cnco2)cc1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate?
The InChIKey is WFIAGNVDPOGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-14(19(25)24-21(27)23-11-15-5-3-2-4-6-15)29-20(26)17-9-7-16(8-10-17)18-12-22-13-28-18/h2-10,12-14H,11H2,1H3,(H2,23,24,25,27).
What are the key properties of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate?
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate has a molecular weight of 393.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-oxazol-5-yl)benzoate is sourced from PubChem (CID 55835853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).