N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide

C15H15F3N2O4 — CID 47076925

IUPACN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(O)COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C15H15F3N2O4/c1-9-5-13(24-20-9)14(22)19-7-11(21)8-23-12-4-2-3-10(6-12)15(16,17)18/h2-6,11,21H,7-8H2,1H3,(H,19,22)
InChIKeyLNRMRXNTYAWYSG-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.17
Rot. Bonds6

About N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47076925) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47076925
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC NameN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(O)COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C15H15F3N2O4/c1-9-5-13(24-20-9)14(22)19-7-11(21)8-23-12-4-2-3-10(6-12)15(16,17)18/h2-6,11,21H,7-8H2,1H3,(H,19,22)
InChIKeyLNRMRXNTYAWYSG-UHFFFAOYSA-N
XLogP2.17
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 47076925) is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC(O)COc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is LNRMRXNTYAWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4/c1-9-5-13(24-20-9)14(22)19-7-11(21)8-23-12-4-2-3-10(6-12)15(16,17)18/h2-6,11,21H,7-8H2,1H3,(H,19,22).
What are the key properties of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 344.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47076925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).