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

C20H17F3N2O2 — CID 117089889

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1noc(C)c1-c1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H17F3N2O2/c1-12-18(13(2)27-25-12)15-6-4-7-16(10-15)19(26)24-11-14-5-3-8-17(9-14)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyCOTWSJODZAQKOD-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.91
Rot. Bonds4

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 117089889) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID117089889
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1noc(C)c1-c1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H17F3N2O2/c1-12-18(13(2)27-25-12)15-6-4-7-16(10-15)19(26)24-11-14-5-3-8-17(9-14)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyCOTWSJODZAQKOD-UHFFFAOYSA-N
XLogP4.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 117089889) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is Cc1noc(C)c1-c1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is COTWSJODZAQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-12-18(13(2)27-25-12)15-6-4-7-16(10-15)19(26)24-11-14-5-3-8-17(9-14)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 374.36 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 117089889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).