5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide

C22H22ClN3O3 — CID 56511813

IUPAC5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C22H22ClN3O3/c1-4-26(14-15-8-10-16(11-9-15)21(27)25(2)3)22(28)19-13-20(29-24-19)17-6-5-7-18(23)12-17/h5-13H,4,14H2,1-3H3
InChIKeyHMEIBBHYCZOQGI-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.36
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 56511813) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID56511813
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C22H22ClN3O3/c1-4-26(14-15-8-10-16(11-9-15)21(27)25(2)3)22(28)19-13-20(29-24-19)17-6-5-7-18(23)12-17/h5-13H,4,14H2,1-3H3
InChIKeyHMEIBBHYCZOQGI-UHFFFAOYSA-N
XLogP4.36
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 46417722
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 56512666
5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 55978226
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811
N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
CID 134023402
2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 120519348
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 23613551
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 56511813) is 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is HMEIBBHYCZOQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-4-26(14-15-8-10-16(11-9-15)21(27)25(2)3)22(28)19-13-20(29-24-19)17-6-5-7-18(23)12-17/h5-13H,4,14H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56511813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).