2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide

C17H12F3N3O2 — CID 22661060

IUPAC2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(Nc1nnc(C(F)(F)F)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)15-22-23-16(25-15)21-14(24)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,21,23,24)
InChIKeyDHVIJWRPAMRBIP-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.86
Rot. Bonds4

About 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide

2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 22661060) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID22661060
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(Nc1nnc(C(F)(F)F)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)15-22-23-16(25-15)21-14(24)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,21,23,24)
InChIKeyDHVIJWRPAMRBIP-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 22661060) is 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(Nc1nnc(C(F)(F)F)o1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is DHVIJWRPAMRBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)15-22-23-16(25-15)21-14(24)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,21,23,24).
What are the key properties of 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 347.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 22661060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).