5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C24H18F3N5O2 — CID 175086650

IUPAC5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCCCn1ccc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21
InChIInChI=1S/C24H18F3N5O2/c1-2-10-32-11-9-15-5-8-18(12-20(15)32)33-21-14-28-19(13-29-21)23-30-22(31-34-23)16-3-6-17(7-4-16)24(25,26)27/h3-9,11-14H,2,10H2,1H3
InChIKeyGYLAHNWDSVRHIX-UHFFFAOYSA-N
MW465.44 g/mol
LogP6.37
Rot. Bonds6

About 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 175086650) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID175086650
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCCCn1ccc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21
InChIInChI=1S/C24H18F3N5O2/c1-2-10-32-11-9-15-5-8-18(12-20(15)32)33-21-14-28-19(13-29-21)23-30-22(31-34-23)16-3-6-17(7-4-16)24(25,26)27/h3-9,11-14H,2,10H2,1H3
InChIKeyGYLAHNWDSVRHIX-UHFFFAOYSA-N
XLogP6.37
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 175086650) is 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is CCCn1ccc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21.
What is the InChIKey of 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is GYLAHNWDSVRHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c1-2-10-32-11-9-15-5-8-18(12-20(15)32)33-21-14-28-19(13-29-21)23-30-22(31-34-23)16-3-6-17(7-4-16)24(25,26)27/h3-9,11-14H,2,10H2,1H3.
What are the key properties of 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 465.44 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 175086650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).