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

C12H10F3N3O3 — CID 29152262

IUPACN-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C12H10F3N3O3/c1-7(19)16-6-10-17-11(18-21-10)8-2-4-9(5-3-8)20-12(13,14)15/h2-5H,6H2,1H3,(H,16,19)
InChIKeyFKXFZXCDNCFEKZ-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.27
Rot. Bonds4

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

N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 29152262) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID29152262
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC NameN-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C12H10F3N3O3/c1-7(19)16-6-10-17-11(18-21-10)8-2-4-9(5-3-8)20-12(13,14)15/h2-5H,6H2,1H3,(H,16,19)
InChIKeyFKXFZXCDNCFEKZ-UHFFFAOYSA-N
XLogP2.27
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
CID 2744635
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
(E)-3-(4-methoxyphenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]but-2-enamide
CID 110417037
3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 50832165
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethoxybenzoate
CID 46856715
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butanamide
CID 46460562
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 24611521
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 29152262) is N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide is CC(=O)NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is FKXFZXCDNCFEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c1-7(19)16-6-10-17-11(18-21-10)8-2-4-9(5-3-8)20-12(13,14)15/h2-5H,6H2,1H3,(H,16,19).
What are the key properties of N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 301.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 29152262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).