2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide

C17H19F3N2O4 — CID 47932732

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2O4/c1-10-15(11(2)26-22-10)7-16(24)21-8-13(23)9-25-14-5-3-4-12(6-14)17(18,19)20/h3-6,13,23H,7-9H2,1-2H3,(H,21,24)
InChIKeyHRHCMRCJQSTMQM-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.41
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide (PubChem CID 47932732) has the molecular formula C17H19F3N2O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
PubChem CID47932732
Molecular FormulaC17H19F3N2O4
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2O4/c1-10-15(11(2)26-22-10)7-16(24)21-8-13(23)9-25-14-5-3-4-12(6-14)17(18,19)20/h3-6,13,23H,7-9H2,1-2H3,(H,21,24)
InChIKeyHRHCMRCJQSTMQM-UHFFFAOYSA-N
XLogP2.41
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide (CID 47932732) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide is Cc1noc(C)c1CC(=O)NCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide?
The InChIKey is HRHCMRCJQSTMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4/c1-10-15(11(2)26-22-10)7-16(24)21-8-13(23)9-25-14-5-3-4-12(6-14)17(18,19)20/h3-6,13,23H,7-9H2,1-2H3,(H,21,24).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide has a molecular weight of 372.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 47932732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).