2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

C16H10F3N3O2 — CID 754945

IUPAC2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(F)(F)F
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)15(23)20-12-8-6-11(7-9-12)14-22-21-13(24-14)10-4-2-1-3-5-10/h1-9H,(H,20,23)
InChIKeyVYSLUACBWDIFNK-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.90
Rot. Bonds3

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

2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 754945) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID754945
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(F)(F)F
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)15(23)20-12-8-6-11(7-9-12)14-22-21-13(24-14)10-4-2-1-3-5-10/h1-9H,(H,20,23)
InChIKeyVYSLUACBWDIFNK-UHFFFAOYSA-N
XLogP3.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline
CID 75505
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 46227020
N,N-dimethyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 671915
Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethyl-
CID 74301
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[4-(5-Phenyl-1,3,4-Oxadiazol-2-Yl)phenyl]propanamide
CID 135566883
4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 865618
4-Oxo-4-{[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]amino}butanoic acid
CID 888626
N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059
4-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 628602
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 754945) is 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is VYSLUACBWDIFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)15(23)20-12-8-6-11(7-9-12)14-22-21-13(24-14)10-4-2-1-3-5-10/h1-9H,(H,20,23).
What are the key properties of 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 333.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 754945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).