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

C18H21F3N2O4 — CID 47932657

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O4/c1-11-16(12(2)27-23-11)6-7-17(25)22-9-14(24)10-26-15-5-3-4-13(8-15)18(19,20)21/h3-5,8,14,24H,6-7,9-10H2,1-2H3,(H,22,25)
InChIKeyBREVEGBJPJQEQQ-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.80
Rot. Bonds8

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide (PubChem CID 47932657) has the molecular formula C18H21F3N2O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide
PubChem CID47932657
Molecular FormulaC18H21F3N2O4
Molecular Weight386.37 g/mol
Exact Mass386.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O4/c1-11-16(12(2)27-23-11)6-7-17(25)22-9-14(24)10-26-15-5-3-4-13(8-15)18(19,20)21/h3-5,8,14,24H,6-7,9-10H2,1-2H3,(H,22,25)
InChIKeyBREVEGBJPJQEQQ-UHFFFAOYSA-N
XLogP2.80
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide (CID 47932657) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide is Cc1noc(C)c1CCC(=O)NCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide?
The InChIKey is BREVEGBJPJQEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O4/c1-11-16(12(2)27-23-11)6-7-17(25)22-9-14(24)10-26-15-5-3-4-13(8-15)18(19,20)21/h3-5,8,14,24H,6-7,9-10H2,1-2H3,(H,22,25).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide has a molecular weight of 386.37 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide is sourced from PubChem (CID 47932657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).