ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate

C20H19N3O4 — CID 108812805

IUPACethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)Nc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-26-19(24)16-10-8-14(9-11-16)13-21-20(25)22-18-12-17(27-23-18)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H2,21,22,23,25)
InChIKeyWHHFTTWHTFLNKV-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.84
Rot. Bonds6

About ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate

ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate (PubChem CID 108812805) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
PubChem CID108812805
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)Nc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-26-19(24)16-10-8-14(9-11-16)13-21-20(25)22-18-12-17(27-23-18)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H2,21,22,23,25)
InChIKeyWHHFTTWHTFLNKV-UHFFFAOYSA-N
XLogP3.84
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoate
CID 108813178
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812811
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
CID 59654810
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 154841169
ethyl 4-[[(2-methylphenyl)carbamoylamino]methyl]benzoate
CID 108894223
ethyl 4-[(pyridin-4-ylcarbamoylamino)methyl]benzoate
CID 108892768
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate?
The IUPAC name of ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate (CID 108812805) is ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate?
The canonical SMILES for ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)Nc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate?
The InChIKey is WHHFTTWHTFLNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-26-19(24)16-10-8-14(9-11-16)13-21-20(25)22-18-12-17(27-23-18)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H2,21,22,23,25).
What are the key properties of ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate?
ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate is sourced from PubChem (CID 108812805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).