5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole

C20H15ClF3N3O2 — CID 151595327

IUPAC5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole
SMILESCCCn1ccc2c(-c3noc(-c4ccc(OC(F)(F)F)c(Cl)c4)n3)cccc21
InChIInChI=1S/C20H15ClF3N3O2/c1-2-9-27-10-8-13-14(4-3-5-16(13)27)18-25-19(29-26-18)12-6-7-17(15(21)11-12)28-20(22,23)24/h3-8,10-11H,2,9H2,1H3
InChIKeyQJIVNHOOAVDJGU-UHFFFAOYSA-N
MW421.81 g/mol
LogP6.32
Rot. Bonds5

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

5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole (PubChem CID 151595327) has the molecular formula C20H15ClF3N3O2 and a molecular weight of 421.81 g/mol. Its IUPAC name is 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole
PubChem CID151595327
Molecular FormulaC20H15ClF3N3O2
Molecular Weight421.81 g/mol
Exact Mass421.08
IUPAC Name5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole
SMILESCCCn1ccc2c(-c3noc(-c4ccc(OC(F)(F)F)c(Cl)c4)n3)cccc21
InChIInChI=1S/C20H15ClF3N3O2/c1-2-9-27-10-8-13-14(4-3-5-16(13)27)18-25-19(29-26-18)12-6-7-17(15(21)11-12)28-20(22,23)24/h3-8,10-11H,2,9H2,1H3
InChIKeyQJIVNHOOAVDJGU-UHFFFAOYSA-N
XLogP6.32
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.81
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-butylindol-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol;propan-1-ol;1,1,1-trifluoropropane
CID 143554765
3-[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]propanal
CID 154559619
3-[4-[5-[4-ethyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]propanal
CID 143697863
methyl 2-[4-[5-[3-methyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate
CID 59214226
3-[4-[5-[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]propanal
CID 162555182
ethyl 4-[4-[5-(3-bromo-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate
CID 59318412
ethyl 4-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoate
CID 59318384
sodium 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate
CID 66677146
4-[4-[5-[3-ethyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]butanal
CID 143697882
N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride
CID 86628813
5-(1-benzyl-5-methylpyrazol-3-yl)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 173097528
1-ethenoxy-4-[4-[5-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-3-yl]indol-1-yl]butan-1-ol
CID 162557216

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole (CID 151595327) is 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole is CCCn1ccc2c(-c3noc(-c4ccc(OC(F)(F)F)c(Cl)c4)n3)cccc21.
What is the InChIKey of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole?
The InChIKey is QJIVNHOOAVDJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2/c1-2-9-27-10-8-13-14(4-3-5-16(13)27)18-25-19(29-26-18)12-6-7-17(15(21)11-12)28-20(22,23)24/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole?
5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole has a molecular weight of 421.81 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 151595327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).