N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide

C17H16F3N3O3 — CID 10109523

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)16-21-8-14(26-16)25-11-4-1-9(2-5-11)15(24)23-13-7-10-3-6-12(13)22-10/h1-2,4-5,8,10,12-13,22H,3,6-7H2,(H,23,24)/t10-,12+,13-/m1/s1
InChIKeyKTDOPYAHUAFXKI-KGYLQXTDSA-N
MW367.33 g/mol
LogP3.11
Rot. Bonds4

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide (PubChem CID 10109523) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
PubChem CID10109523
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cnc(C(F)(F)F)o2)cc1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)16-21-8-14(26-16)25-11-4-1-9(2-5-11)15(24)23-13-7-10-3-6-12(13)22-10/h1-2,4-5,8,10,12-13,22H,3,6-7H2,(H,23,24)/t10-,12+,13-/m1/s1
InChIKeyKTDOPYAHUAFXKI-KGYLQXTDSA-N
XLogP3.11
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide (CID 10109523) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cnc(C(F)(F)F)o2)cc1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide?
The InChIKey is KTDOPYAHUAFXKI-KGYLQXTDSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)16-21-8-14(26-16)25-11-4-1-9(2-5-11)15(24)23-13-7-10-3-6-12(13)22-10/h1-2,4-5,8,10,12-13,22H,3,6-7H2,(H,23,24)/t10-,12+,13-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide has a molecular weight of 367.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide is sourced from PubChem (CID 10109523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).