3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide

C13H12Cl2N2O3 — CID 33103637

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
SMILESCONC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C13H12Cl2N2O3/c1-19-17-12(18)4-5-13-16-7-11(20-13)9-3-2-8(14)6-10(9)15/h2-3,6-7H,4-5H2,1H3,(H,17,18)
InChIKeyLZQAAAFQTLWSQY-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.26
Rot. Bonds5

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide (PubChem CID 33103637) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
PubChem CID33103637
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
SMILESCONC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C13H12Cl2N2O3/c1-19-17-12(18)4-5-13-16-7-11(20-13)9-3-2-8(14)6-10(9)15/h2-3,6-7H,4-5H2,1H3,(H,17,18)
InChIKeyLZQAAAFQTLWSQY-UHFFFAOYSA-N
XLogP3.26
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide 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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
CID 30039999
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 37485188
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119573335
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide
CID 46447057
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120653572

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide (CID 33103637) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide is CONC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide?
The InChIKey is LZQAAAFQTLWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-19-17-12(18)4-5-13-16-7-11(20-13)9-3-2-8(14)6-10(9)15/h2-3,6-7H,4-5H2,1H3,(H,17,18).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide has a molecular weight of 315.16 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide is sourced from PubChem (CID 33103637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).