3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C18H11ClF3N3O2 — CID 141211738

IUPAC3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc4[nH]cc(Cl)c4c3)no2)cc1C(F)(F)F
InChIInChI=1S/C18H11ClF3N3O2/c1-26-15-5-3-10(7-12(15)18(20,21)22)17-24-16(25-27-17)9-2-4-14-11(6-9)13(19)8-23-14/h2-8,23H,1H3
InChIKeyQVXGIELGEGYBAW-UHFFFAOYSA-N
MW393.75 g/mol
LogP5.57
Rot. Bonds3

About 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 141211738) has the molecular formula C18H11ClF3N3O2 and a molecular weight of 393.75 g/mol. Its IUPAC name is 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID141211738
Molecular FormulaC18H11ClF3N3O2
Molecular Weight393.75 g/mol
Exact Mass393.05
IUPAC Name3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc4[nH]cc(Cl)c4c3)no2)cc1C(F)(F)F
InChIInChI=1S/C18H11ClF3N3O2/c1-26-15-5-3-10(7-12(15)18(20,21)22)17-24-16(25-27-17)9-2-4-14-11(6-9)13(19)8-23-14/h2-8,23H,1H3
InChIKeyQVXGIELGEGYBAW-UHFFFAOYSA-N
XLogP5.57
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.75
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1H-indole
CID 141318673
5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
CID 158671058
5-[3,5-bis[3-[4-hexoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-3-[4-hexoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59260161
3-(3H-benzimidazol-5-yl)-5-[4-(fluoromethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;fluoroform
CID 162079065
3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214344
6-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-amine
CID 59214236
4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509876
3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25256391
2-methanimidoyl-5-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 143554751
3-(2-ethoxy-3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazole
CID 59214359
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293
5-(4-chloro-3-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 8895254

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 141211738) is 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc4[nH]cc(Cl)c4c3)no2)cc1C(F)(F)F.
What is the InChIKey of 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is QVXGIELGEGYBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2/c1-26-15-5-3-10(7-12(15)18(20,21)22)17-24-16(25-27-17)9-2-4-14-11(6-9)13(19)8-23-14/h2-8,23H,1H3.
What are the key properties of 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 393.75 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141211738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).