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

C18H14F3N3O3 — CID 3323904

IUPACN-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCc1c(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c1-11-13(18(19,20)21)8-5-9-14(11)22-15(25)10-24-17(26)27-16(23-24)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,22,25)
InChIKeyTWLWVGGCKYXLGH-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.47
Rot. Bonds4

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

N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 3323904) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID3323904
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCc1c(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c1-11-13(18(19,20)21)8-5-9-14(11)22-15(25)10-24-17(26)27-16(23-24)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,22,25)
InChIKeyTWLWVGGCKYXLGH-UHFFFAOYSA-N
XLogP3.47
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 4963538
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CID 14951342
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CID 9184205
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CID 17488119
CID 17488119
CID 17488468
CID 17488468
CID 17511501
CID 17511501
CID 22576942
CID 22576942
CID 9038684
CID 9038684
CID 9042357
CID 9042357
CID 9208452
CID 9208452
CID 17544650
CID 17544650
CID 53180580
CID 53180580

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (CID 3323904) is N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is Cc1c(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cccc1C(F)(F)F.
What is the InChIKey of N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is TWLWVGGCKYXLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-11-13(18(19,20)21)8-5-9-14(11)22-15(25)10-24-17(26)27-16(23-24)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 377.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 3323904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).