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

C14H13F3N2O3 — CID 151780312

IUPAC2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide
SMILESCNC(=O)c1ccc(-c2noc(C(F)(F)F)c2C)cc1OC
InChIInChI=1S/C14H13F3N2O3/c1-7-11(19-22-12(7)14(15,16)17)8-4-5-9(13(20)18-2)10(6-8)21-3/h4-6H,1-3H3,(H,18,20)
InChIKeyRULMIWSZIQSHDG-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.04
Rot. Bonds3

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

2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide (PubChem CID 151780312) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide
PubChem CID151780312
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide
SMILESCNC(=O)c1ccc(-c2noc(C(F)(F)F)c2C)cc1OC
InChIInChI=1S/C14H13F3N2O3/c1-7-11(19-22-12(7)14(15,16)17)8-4-5-9(13(20)18-2)10(6-8)21-3/h4-6H,1-3H3,(H,18,20)
InChIKeyRULMIWSZIQSHDG-UHFFFAOYSA-N
XLogP3.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide (CID 151780312) is 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide is CNC(=O)c1ccc(-c2noc(C(F)(F)F)c2C)cc1OC.
What is the InChIKey of 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide?
The InChIKey is RULMIWSZIQSHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-7-11(19-22-12(7)14(15,16)17)8-4-5-9(13(20)18-2)10(6-8)21-3/h4-6H,1-3H3,(H,18,20).
What are the key properties of 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide?
2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide has a molecular weight of 314.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 151780312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).