N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C22H21F3N2O2 — CID 78853702

IUPACN-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCN(C(=O)Cc1coc(-c2ccccc2)n1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N2O2/c1-3-27(15(2)17-10-7-11-18(12-17)22(23,24)25)20(28)13-19-14-29-21(26-19)16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3
InChIKeyKQZQEQLHBVITRE-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.51
Rot. Bonds6

About N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 78853702) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID78853702
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC NameN-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCN(C(=O)Cc1coc(-c2ccccc2)n1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N2O2/c1-3-27(15(2)17-10-7-11-18(12-17)22(23,24)25)20(28)13-19-14-29-21(26-19)16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3
InChIKeyKQZQEQLHBVITRE-UHFFFAOYSA-N
XLogP5.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790
3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 120611042
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 54770947
2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 34810970
N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553366
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 56501375
4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 67407533
(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide
CID 97243557

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 78853702) is N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CCN(C(=O)Cc1coc(-c2ccccc2)n1)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is KQZQEQLHBVITRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c1-3-27(15(2)17-10-7-11-18(12-17)22(23,24)25)20(28)13-19-14-29-21(26-19)16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3.
What are the key properties of N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 78853702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).