3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C21H18ClF3N2O2 — CID 18161298

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H18ClF3N2O2/c1-27(13-14-6-8-15(9-7-14)21(23,24)25)20(28)11-10-19-26-12-18(29-19)16-4-2-3-5-17(16)22/h2-9,12H,10-11,13H2,1H3
InChIKeyKUNFOTVIBMKEPY-UHFFFAOYSA-N
MW422.83 g/mol
LogP5.61
Rot. Bonds6

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 18161298) has the molecular formula C21H18ClF3N2O2 and a molecular weight of 422.83 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID18161298
Molecular FormulaC21H18ClF3N2O2
Molecular Weight422.83 g/mol
Exact Mass422.10
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H18ClF3N2O2/c1-27(13-14-6-8-15(9-7-14)21(23,24)25)20(28)11-10-19-26-12-18(29-19)16-4-2-3-5-17(16)22/h2-9,12H,10-11,13H2,1H3
InChIKeyKUNFOTVIBMKEPY-UHFFFAOYSA-N
XLogP5.61
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 24651784
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 30890026
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 24611213
N-[(2-chloro-5-nitrophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 16962059
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550447
N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29480822

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 18161298) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is KUNFOTVIBMKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N2O2/c1-27(13-14-6-8-15(9-7-14)21(23,24)25)20(28)11-10-19-26-12-18(29-19)16-4-2-3-5-17(16)22/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 422.83 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18161298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).