2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide

C21H20N2O3 — CID 100503847

IUPAC2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OCC)cc2)o1
InChIInChI=1S/C21H20N2O3/c1-3-13-22-20(24)17-7-5-6-8-18(17)21-23-14-19(26-21)15-9-11-16(12-10-15)25-4-2/h3,5-12,14H,1,4,13H2,2H3,(H,22,24)
InChIKeyCHNZITCQEVTRMN-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.32
Rot. Bonds7

About 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide (PubChem CID 100503847) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
PubChem CID100503847
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OCC)cc2)o1
InChIInChI=1S/C21H20N2O3/c1-3-13-22-20(24)17-7-5-6-8-18(17)21-23-14-19(26-21)15-9-11-16(12-10-15)25-4-2/h3,5-12,14H,1,4,13H2,2H3,(H,22,24)
InChIKeyCHNZITCQEVTRMN-UHFFFAOYSA-N
XLogP4.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide 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

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylpropyl)benzamide
CID 100503798
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
CID 100504250
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504037
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504867

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide (CID 100503847) is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OCC)cc2)o1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide?
The InChIKey is CHNZITCQEVTRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-13-22-20(24)17-7-5-6-8-18(17)21-23-14-19(26-21)15-9-11-16(12-10-15)25-4-2/h3,5-12,14H,1,4,13H2,2H3,(H,22,24).
What are the key properties of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide?
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide has a molecular weight of 348.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 100503847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).