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

C20H19ClN2O2 — CID 100513460

IUPAC2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN2O2/c1-3-23(4-2)20(24)17-8-6-5-7-16(17)19-22-13-18(25-19)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3
InChIKeyBFIJFNZITWKAKX-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.14
Rot. Bonds5

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

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide (PubChem CID 100513460) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
PubChem CID100513460
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN2O2/c1-3-23(4-2)20(24)17-8-6-5-7-16(17)19-22-13-18(25-19)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3
InChIKeyBFIJFNZITWKAKX-UHFFFAOYSA-N
XLogP5.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100509744
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N-(cyclopropylmethyl)-N-ethyl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 86939454
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100512579
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100512478
N-benzyl-N-(2-hydroxyethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 78855254
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide (CID 100513460) is 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide?
The InChIKey is BFIJFNZITWKAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-3-23(4-2)20(24)17-8-6-5-7-16(17)19-22-13-18(25-19)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide?
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide has a molecular weight of 354.84 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 100513460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).