2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C15H12F3N5O3 — CID 19328480

IUPAC2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCn1nc(C(F)(F)F)cc1-c1nc(-c2ccc(OCC(N)=O)cc2)no1
InChIInChI=1S/C15H12F3N5O3/c1-23-10(6-11(21-23)15(16,17)18)14-20-13(22-26-14)8-2-4-9(5-3-8)25-7-12(19)24/h2-6H,7H2,1H3,(H2,19,24)
InChIKeyADHYUHUSLDWQNV-UHFFFAOYSA-N
MW367.29 g/mol
LogP2.02
Rot. Bonds5

About 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328480) has the molecular formula C15H12F3N5O3 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19328480
Molecular FormulaC15H12F3N5O3
Molecular Weight367.29 g/mol
Exact Mass367.09
IUPAC Name2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCn1nc(C(F)(F)F)cc1-c1nc(-c2ccc(OCC(N)=O)cc2)no1
InChIInChI=1S/C15H12F3N5O3/c1-23-10(6-11(21-23)15(16,17)18)14-20-13(22-26-14)8-2-4-9(5-3-8)25-7-12(19)24/h2-6H,7H2,1H3,(H2,19,24)
InChIKeyADHYUHUSLDWQNV-UHFFFAOYSA-N
XLogP2.02
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19332436
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
2-[4-[1-[(E)-2-methylbut-2-enyl]-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]acetamide
CID 142903474
2-[4-[5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19332441
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19582150
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-[5-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328542

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328480) is 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cn1nc(C(F)(F)F)cc1-c1nc(-c2ccc(OCC(N)=O)cc2)no1.
What is the InChIKey of 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is ADHYUHUSLDWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O3/c1-23-10(6-11(21-23)15(16,17)18)14-20-13(22-26-14)8-2-4-9(5-3-8)25-7-12(19)24/h2-6H,7H2,1H3,(H2,19,24).
What are the key properties of 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 367.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).