N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide

C20H18Cl2N2O2 — CID 2726474

IUPACN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1
InChIInChI=1S/C20H18Cl2N2O2/c1-20(2,3)19(25)23-13-7-4-6-12(10-13)17-11-16(24-26-17)18-14(21)8-5-9-15(18)22/h4-11H,1-3H3,(H,23,25)
InChIKeyAIKMFQNRDGNXKZ-UHFFFAOYSA-N
MW389.28 g/mol
LogP6.30
Rot. Bonds3

About N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide

N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 2726474) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID2726474
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC NameN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1
InChIInChI=1S/C20H18Cl2N2O2/c1-20(2,3)19(25)23-13-7-4-6-12(10-13)17-11-16(24-26-17)18-14(21)8-5-9-15(18)22/h4-11H,1-3H3,(H,23,25)
InChIKeyAIKMFQNRDGNXKZ-UHFFFAOYSA-N
XLogP6.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2,6-Dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-hydroxybenzamide
CID 138454779
5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093850
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 987751
N-(5-chloro-2-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1015763
3-(2-chloro-6-fluorophenyl)-N-(2-fluoro-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1868174
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882
3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 985379

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide (CID 2726474) is N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.
What is the InChIKey of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is AIKMFQNRDGNXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-20(2,3)19(25)23-13-7-4-6-12(10-13)17-11-16(24-26-17)18-14(21)8-5-9-15(18)22/h4-11H,1-3H3,(H,23,25).
What are the key properties of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide?
N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 389.28 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2726474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).