4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate

C20H15N2O5- — CID 6986979

IUPAC4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate
SMILESCOC(=O)c1c(-c2ccccc2)noc1/C=C/Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C20H16N2O5/c1-26-20(25)17-16(27-22-18(17)13-5-3-2-4-6-13)11-12-21-15-9-7-14(8-10-15)19(23)24/h2-12,21H,1H3,(H,23,24)/p-1/b12-11+
InChIKeySNJITGHGLYCEDP-VAWYXSNFSA-M
MW363.35 g/mol
LogP2.57
Rot. Bonds6

About 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate

4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate (PubChem CID 6986979) has the molecular formula C20H15N2O5- and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate.

Molecular Properties

Compound Name4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate
PubChem CID6986979
Molecular FormulaC20H15N2O5-
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate
SMILESCOC(=O)c1c(-c2ccccc2)noc1/C=C/Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C20H16N2O5/c1-26-20(25)17-16(27-22-18(17)13-5-3-2-4-6-13)11-12-21-15-9-7-14(8-10-15)19(23)24/h2-12,21H,1H3,(H,23,24)/p-1/b12-11+
InChIKeySNJITGHGLYCEDP-VAWYXSNFSA-M
XLogP2.57
TPSA104.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]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 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate?
The IUPAC name of 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate (CID 6986979) is 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate.
What is the SMILES notation for 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate?
The canonical SMILES for 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate is COC(=O)c1c(-c2ccccc2)noc1/C=C/Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate?
The InChIKey is SNJITGHGLYCEDP-VAWYXSNFSA-M. The full InChI is InChI=1S/C20H16N2O5/c1-26-20(25)17-16(27-22-18(17)13-5-3-2-4-6-13)11-12-21-15-9-7-14(8-10-15)19(23)24/h2-12,21H,1H3,(H,23,24)/p-1/b12-11+.
What are the key properties of 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate?
4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate has a molecular weight of 363.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2-(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)ethenyl]amino]benzoate is sourced from PubChem (CID 6986979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).