3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

C19H12F3N3OS — CID 25110359

IUPAC3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
SMILESCc1cnccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1
InChIInChI=1S/C19H12F3N3OS/c1-11-10-23-8-7-13(11)17-24-18(26-25-17)15-9-14(12-5-3-2-4-6-12)16(27-15)19(20,21)22/h2-10H,1H3
InChIKeyKDRFTXYHIICIPF-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.85
Rot. Bonds3

About 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 25110359) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
PubChem CID25110359
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
SMILESCc1cnccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1
InChIInChI=1S/C19H12F3N3OS/c1-11-10-23-8-7-13(11)17-24-18(26-25-17)15-9-14(12-5-3-2-4-6-12)16(27-15)19(20,21)22/h2-10H,1H3
InChIKeyKDRFTXYHIICIPF-UHFFFAOYSA-N
XLogP5.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 59434160
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 4077460
3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 141217820
butanoic acid;4-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid
CID 159069145
3-(2,3-dihydro-1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-[4-(3,4-dihydro-2H-pyrrol-5-yl)phenyl]-5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazole;N,N-dimethyl-1-[2-methyl-3-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;3-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 161338601
2-[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid
CID 157349337
ethyl N-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 140613015
ethyl 4-[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoate
CID 59316771
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247
2-ethyl-1-[[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 69228223
2-[[(1R)-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2,3,7,7a-tetrahydro-1H-inden-1-yl]amino]ethanol
CID 149393221
5-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-bromo-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;5-(3,5-diethoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole;5-[3-(3-methylbutyl)phenyl]-3-(2-methylphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-(3-phenoxyphenyl)-1,2,4-oxadiazole;3-(2-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 160874890

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 25110359) is 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is Cc1cnccc1-c1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1.
What is the InChIKey of 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The InChIKey is KDRFTXYHIICIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c1-11-10-23-8-7-13(11)17-24-18(26-25-17)15-9-14(12-5-3-2-4-6-12)16(27-15)19(20,21)22/h2-10H,1H3.
What are the key properties of 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 387.39 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-pyridinyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 25110359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).