ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate

C18H16N2O5 — CID 110774069

IUPACethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H16N2O5/c1-2-24-17(22)12-4-6-13(7-5-12)19-16(21)10-11-3-8-15-14(9-11)20-18(23)25-15/h3-9H,2,10H2,1H3,(H,19,21)(H,20,23)
InChIKeyNZCZKNRPECKAQJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.48
Rot. Bonds5

About ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate

ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate (PubChem CID 110774069) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
PubChem CID110774069
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Nameethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H16N2O5/c1-2-24-17(22)12-4-6-13(7-5-12)19-16(21)10-11-3-8-15-14(9-11)20-18(23)25-15/h3-9H,2,10H2,1H3,(H,19,21)(H,20,23)
InChIKeyNZCZKNRPECKAQJ-UHFFFAOYSA-N
XLogP2.48
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]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

Related Compounds

N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774011
N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774016
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110390495
N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774032
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467290
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110390501

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate (CID 110774069) is ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate?
The InChIKey is NZCZKNRPECKAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-2-24-17(22)12-4-6-13(7-5-12)19-16(21)10-11-3-8-15-14(9-11)20-18(23)25-15/h3-9H,2,10H2,1H3,(H,19,21)(H,20,23).
What are the key properties of ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate has a molecular weight of 340.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110774069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).