3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide

C15H15F4N3O2 — CID 51107017

IUPAC3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(CNc2cc(C(=O)NCC(F)(F)F)cc(F)c2C)no1
InChIInChI=1S/C15H15F4N3O2/c1-8-3-11(22-24-8)6-20-13-5-10(4-12(16)9(13)2)14(23)21-7-15(17,18)19/h3-5,20H,6-7H2,1-2H3,(H,21,23)
InChIKeyLKVCCHZOUFUJLV-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.33
Rot. Bonds5

About 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide

3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51107017) has the molecular formula C15H15F4N3O2 and a molecular weight of 345.30 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51107017
Molecular FormulaC15H15F4N3O2
Molecular Weight345.30 g/mol
Exact Mass345.11
IUPAC Name3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(CNc2cc(C(=O)NCC(F)(F)F)cc(F)c2C)no1
InChIInChI=1S/C15H15F4N3O2/c1-8-3-11(22-24-8)6-20-13-5-10(4-12(16)9(13)2)14(23)21-7-15(17,18)19/h3-5,20H,6-7H2,1-2H3,(H,21,23)
InChIKeyLKVCCHZOUFUJLV-UHFFFAOYSA-N
XLogP3.33
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 51107017) is 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(CNc2cc(C(=O)NCC(F)(F)F)cc(F)c2C)no1.
What is the InChIKey of 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LKVCCHZOUFUJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O2/c1-8-3-11(22-24-8)6-20-13-5-10(4-12(16)9(13)2)14(23)21-7-15(17,18)19/h3-5,20H,6-7H2,1-2H3,(H,21,23).
What are the key properties of 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 345.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51107017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).