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

C19H17N3O4 — CID 108812507

IUPACethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C19H17N3O4/c1-2-25-18(23)14-8-10-15(11-9-14)20-19(24)21-17-12-16(26-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,20,21,22,24)
InChIKeyLSCVVOXCEFCKFO-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.16
Rot. Bonds5

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

ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate (PubChem CID 108812507) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
PubChem CID108812507
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C19H17N3O4/c1-2-25-18(23)14-8-10-15(11-9-14)20-19(24)21-17-12-16(26-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,20,21,22,24)
InChIKeyLSCVVOXCEFCKFO-UHFFFAOYSA-N
XLogP4.16
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate (CID 108812507) is ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The InChIKey is LSCVVOXCEFCKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-25-18(23)14-8-10-15(11-9-14)20-19(24)21-17-12-16(26-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,20,21,22,24).
What are the key properties of ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
ethyl 4-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]benzoate has a molecular weight of 351.36 g/mol, XLogP of 4.16, 5 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]benzoate is sourced from PubChem (CID 108812507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).