N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide

C17H19F3N2O4 — CID 57209338

IUPACN-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide
SMILESCC(C)(C)ON(C=O)CCOc1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C17H19F3N2O4/c1-16(2,3)26-22(11-23)8-9-24-15-10-14(25-21-15)12-4-6-13(7-5-12)17(18,19)20/h4-7,10-11H,8-9H2,1-3H3
InChIKeyBTTIHXCFEKKFII-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.93
Rot. Bonds7

About N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide

N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide (PubChem CID 57209338) has the molecular formula C17H19F3N2O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide
PubChem CID57209338
Molecular FormulaC17H19F3N2O4
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide
SMILESCC(C)(C)ON(C=O)CCOc1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C17H19F3N2O4/c1-16(2,3)26-22(11-23)8-9-24-15-10-14(25-21-15)12-4-6-13(7-5-12)17(18,19)20/h4-7,10-11H,8-9H2,1-3H3
InChIKeyBTTIHXCFEKKFII-UHFFFAOYSA-N
XLogP3.93
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide (CID 57209338) is N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide is CC(C)(C)ON(C=O)CCOc1cc(-c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide?
The InChIKey is BTTIHXCFEKKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4/c1-16(2,3)26-22(11-23)8-9-24-15-10-14(25-21-15)12-4-6-13(7-5-12)17(18,19)20/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide?
N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide has a molecular weight of 372.34 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide is sourced from PubChem (CID 57209338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).