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

C18H14F3N3O3 — CID 43972505

IUPAC2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C18H14F3N3O3/c1-26-14-8-2-11(3-9-14)10-15(25)22-17-24-23-16(27-17)12-4-6-13(7-5-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,24,25)
InChIKeyQEKCSVNFTPABQI-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.95
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43972505) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43972505
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C18H14F3N3O3/c1-26-14-8-2-11(3-9-14)10-15(25)22-17-24-23-16(27-17)12-4-6-13(7-5-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,24,25)
InChIKeyQEKCSVNFTPABQI-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972336
2-(4-methylsulfanylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972500
3-(4-methoxyphenyl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43972492
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972518
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
3-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43972444
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 8719964
1-(4-tert-butylphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 166963038
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 11609085
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16854277

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43972505) is 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is QEKCSVNFTPABQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-26-14-8-2-11(3-9-14)10-15(25)22-17-24-23-16(27-17)12-4-6-13(7-5-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,24,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 377.32 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43972505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).