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

C24H18F3N3OS — CID 151545131

IUPAC5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1ccc2cc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)ccc21
InChIInChI=1S/C24H18F3N3OS/c1-2-11-30-12-10-16-13-17(8-9-19(16)30)22-28-23(31-29-22)20-14-18(15-6-4-3-5-7-15)21(32-20)24(25,26)27/h3-10,12-14H,2,11H2,1H3
InChIKeyPZHHBSOVEVNOGW-UHFFFAOYSA-N
MW453.49 g/mol
LogP7.52
Rot. Bonds5

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

5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole (PubChem CID 151545131) has the molecular formula C24H18F3N3OS and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole
PubChem CID151545131
Molecular FormulaC24H18F3N3OS
Molecular Weight453.49 g/mol
Exact Mass453.11
IUPAC Name5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1ccc2cc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)ccc21
InChIInChI=1S/C24H18F3N3OS/c1-2-11-30-12-10-16-13-17(8-9-19(16)30)22-28-23(31-29-22)20-14-18(15-6-4-3-5-7-15)21(32-20)24(25,26)27/h3-10,12-14H,2,11H2,1H3
InChIKeyPZHHBSOVEVNOGW-UHFFFAOYSA-N
XLogP7.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[9-[3-(3,5-Difluorophenyl)sulfanylpropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 62705299
5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 57398268
5-[9-[3-(3,4-Difluorophenyl)sulfanylpropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 62705302
5-[9-[3-(3,5-Difluorophenyl)sulfonylpropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 62705303
5-[9-[3-(3,5-Difluorophenyl)sulfinylpropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 62705467
9-[3-(3,5-difluorophenyl)sulfanylpropyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-carbazol-4-one
CID 62705642
5-[9-[3-(3,5-difluorophenyl)sulfanylpropyl]-6,6-difluoro-7,8-dihydro-5H-carbazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 62705816
4-(2-(3-(3-(Thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10200677
2,2,2-trifluoro-1-(1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indol-3-yl)ethanone
CID 21380871
5-[4-(3-methylphenyl)-3-(1H-pyrrol-1-yl)thiophen-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 22425263
5-(1H-indol-3-ylmethyl)-3-[5-(3-methylphenyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 127025572
3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 162651749

Frequently Asked Questions

What is the IUPAC name of 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole (CID 151545131) is 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole is CCCn1ccc2cc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)ccc21.
What is the InChIKey of 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole?
The InChIKey is PZHHBSOVEVNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3OS/c1-2-11-30-12-10-16-13-17(8-9-19(16)30)22-28-23(31-29-22)20-14-18(15-6-4-3-5-7-15)21(32-20)24(25,26)27/h3-10,12-14H,2,11H2,1H3.
What are the key properties of 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole?
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole has a molecular weight of 453.49 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-(1-propylindol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 151545131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).