2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide

C15H17F3N2O4 — CID 86769881

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide
SMILESCC(COCC(F)(F)F)NC(=O)C(C)n1c(=O)oc2ccccc21
InChIInChI=1S/C15H17F3N2O4/c1-9(7-23-8-15(16,17)18)19-13(21)10(2)20-11-5-3-4-6-12(11)24-14(20)22/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyJTORIZCUCSPLNH-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide (PubChem CID 86769881) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide
PubChem CID86769881
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide
SMILESCC(COCC(F)(F)F)NC(=O)C(C)n1c(=O)oc2ccccc21
InChIInChI=1S/C15H17F3N2O4/c1-9(7-23-8-15(16,17)18)19-13(21)10(2)20-11-5-3-4-6-12(11)24-14(20)22/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyJTORIZCUCSPLNH-UHFFFAOYSA-N
XLogP2.24
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide with MolForge

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Related Compounds

(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24625588
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18143367
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 134006814
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide
CID 51649204
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 134036586
N-[4-(cyanomethyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611025

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide (CID 86769881) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide is CC(COCC(F)(F)F)NC(=O)C(C)n1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide?
The InChIKey is JTORIZCUCSPLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c1-9(7-23-8-15(16,17)18)19-13(21)10(2)20-11-5-3-4-6-12(11)24-14(20)22/h3-6,9-10H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide has a molecular weight of 346.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide is sourced from PubChem (CID 86769881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).