N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide

C20H18ClN3O3 — CID 46417652

IUPACN-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1
InChIInChI=1S/C20H18ClN3O3/c1-12(14-5-4-8-17(10-14)23-13(2)25)22-20(26)18-11-19(27-24-18)15-6-3-7-16(21)9-15/h3-12H,1-2H3,(H,22,26)(H,23,25)
InChIKeyCSHUEVPVUKXEGA-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.44
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46417652) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID46417652
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1
InChIInChI=1S/C20H18ClN3O3/c1-12(14-5-4-8-17(10-14)23-13(2)25)22-20(26)18-11-19(27-24-18)15-6-3-7-16(21)9-15/h3-12H,1-2H3,(H,22,26)(H,23,25)
InChIKeyCSHUEVPVUKXEGA-UHFFFAOYSA-N
XLogP4.44
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 37340877
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098517
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 55991496
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
N-[1-(3-acetamidophenyl)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46581987
5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120826944
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
(1S)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanol;1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 158318961
N-(3-chlorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204524

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 46417652) is N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CSHUEVPVUKXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-12(14-5-4-8-17(10-14)23-13(2)25)22-20(26)18-11-19(27-24-18)15-6-3-7-16(21)9-15/h3-12H,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46417652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).