(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide

C18H14F3N3O3 — CID 7556110

IUPAC(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c1-11(16(25)23-14-6-4-13(5-7-14)18(19,20)21)27-15-8-2-12(3-9-15)17-24-22-10-26-17/h2-11H,1H3,(H,23,25)/t11-/m1/s1
InChIKeyVMZBWXBMIMPUKG-LLVKDONJSA-N
MW377.32 g/mol
LogP4.16
Rot. Bonds5

About (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide

(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 7556110) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID7556110
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c1-11(16(25)23-14-6-4-13(5-7-14)18(19,20)21)27-15-8-2-12(3-9-15)17-24-22-10-26-17/h2-11H,1H3,(H,23,25)/t11-/m1/s1
InChIKeyVMZBWXBMIMPUKG-LLVKDONJSA-N
XLogP4.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 7556110) is (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide is C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VMZBWXBMIMPUKG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-11(16(25)23-14-6-4-13(5-7-14)18(19,20)21)27-15-8-2-12(3-9-15)17-24-22-10-26-17/h2-11H,1H3,(H,23,25)/t11-/m1/s1.
What are the key properties of (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 377.32 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7556110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).