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

C13H13ClN2O3 — CID 33103614

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
SMILESCONC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClN2O3/c1-18-16-12(17)6-7-13-15-8-11(19-13)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyOJKAJYIFYCFKRS-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.61
Rot. Bonds5

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide (PubChem CID 33103614) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
PubChem CID33103614
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
SMILESCONC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClN2O3/c1-18-16-12(17)6-7-13-15-8-11(19-13)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyOJKAJYIFYCFKRS-UHFFFAOYSA-N
XLogP2.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119995343
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 29467289
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043583
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 55638461
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
CID 55510199
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46525988

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide (CID 33103614) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide is CONC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide?
The InChIKey is OJKAJYIFYCFKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-18-16-12(17)6-7-13-15-8-11(19-13)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide has a molecular weight of 280.71 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide is sourced from PubChem (CID 33103614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).