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

C14H13F3N2O2 — CID 122137967

IUPAC3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide
SMILESCc1coc(-c2cc(NC(=O)CC(F)(F)F)ccc2C)n1
InChIInChI=1S/C14H13F3N2O2/c1-8-3-4-10(19-12(20)6-14(15,16)17)5-11(8)13-18-9(2)7-21-13/h3-5,7H,6H2,1-2H3,(H,19,20)
InChIKeyXLUSNRIWDGPMBG-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.85
Rot. Bonds3

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

3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide (PubChem CID 122137967) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide
PubChem CID122137967
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide
SMILESCc1coc(-c2cc(NC(=O)CC(F)(F)F)ccc2C)n1
InChIInChI=1S/C14H13F3N2O2/c1-8-3-4-10(19-12(20)6-14(15,16)17)5-11(8)13-18-9(2)7-21-13/h3-5,7H,6H2,1-2H3,(H,19,20)
InChIKeyXLUSNRIWDGPMBG-UHFFFAOYSA-N
XLogP3.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 777559
4-Methyl-2-phenyl-1,3-oxazole
CID 594333
N-Hydroxy-2-[2-(Trifluoromethyl)phenyl]-1,3-Oxazole-4-Carboxamide
CID 57149561
2,2-Dimethyl-N-[4-(2-methyl-5-phenyl-4-oxazolyl)phenyl]propanamide
CID 2801422
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-phenylacetamide
CID 3241099
2-phenyl-N-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 57398514
N,2-diphenyl-1,3-oxazole-4-carboxamide
CID 3558327
Ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate
CID 2758797
4-(Dimethyl-1,3-oxazol-2-yl)aniline
CID 3627271
2-(2-Phenyl-1,3-oxazol-4-yl)ethan-1-amine
CID 18071418
2-(2-(4-Methylphenyl)-1,3-oxazol-4-yl)ethan-1-amine
CID 25324136
4-(Chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 54888251

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide (CID 122137967) is 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide is Cc1coc(-c2cc(NC(=O)CC(F)(F)F)ccc2C)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide?
The InChIKey is XLUSNRIWDGPMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8-3-4-10(19-12(20)6-14(15,16)17)5-11(8)13-18-9(2)7-21-13/h3-5,7H,6H2,1-2H3,(H,19,20).
What are the key properties of 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide?
3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide has a molecular weight of 298.26 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 122137967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).