5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole

C21H12F3N5O2 — CID 166378708

IUPAC5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccn(-c2ccc(-c3noc(-c4ccc(-c5ccon5)cc4)n3)cc2)n1
InChIInChI=1S/C21H12F3N5O2/c22-21(23,24)18-9-11-29(26-18)16-7-5-14(6-8-16)19-25-20(31-28-19)15-3-1-13(2-4-15)17-10-12-30-27-17/h1-12H
InChIKeyHUTRXGQVYCQZNA-UHFFFAOYSA-N
MW423.35 g/mol
LogP5.26
Rot. Bonds4

About 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole

5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 166378708) has the molecular formula C21H12F3N5O2 and a molecular weight of 423.35 g/mol. Its IUPAC name is 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole
PubChem CID166378708
Molecular FormulaC21H12F3N5O2
Molecular Weight423.35 g/mol
Exact Mass423.09
IUPAC Name5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccn(-c2ccc(-c3noc(-c4ccc(-c5ccon5)cc4)n3)cc2)n1
InChIInChI=1S/C21H12F3N5O2/c22-21(23,24)18-9-11-29(26-18)16-7-5-14(6-8-16)19-25-20(31-28-19)15-3-1-13(2-4-15)17-10-12-30-27-17/h1-12H
InChIKeyHUTRXGQVYCQZNA-UHFFFAOYSA-N
XLogP5.26
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
5-(4-methylsulfonylphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 136531296
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
3,5-bis(4-iodophenyl)-1,2,4-oxadiazole
CID 21231936
(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
CID 63372117
1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 142641849
5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 136531294
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole (CID 166378708) is 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccn(-c2ccc(-c3noc(-c4ccc(-c5ccon5)cc4)n3)cc2)n1.
What is the InChIKey of 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is HUTRXGQVYCQZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N5O2/c22-21(23,24)18-9-11-29(26-18)16-7-5-14(6-8-16)19-25-20(31-28-19)15-3-1-13(2-4-15)17-10-12-30-27-17/h1-12H.
What are the key properties of 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole?
5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 423.35 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,2-oxazol-3-yl)phenyl]-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166378708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).