5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole

C20H19F2N3O2 — CID 169192800

IUPAC5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole
SMILESCC(C)Oc1cc(F)c(-c2nc(N3CCCc4ccccc43)no2)c(F)c1
InChIInChI=1S/C20H19F2N3O2/c1-12(2)26-14-10-15(21)18(16(22)11-14)19-23-20(24-27-19)25-9-5-7-13-6-3-4-8-17(13)25/h3-4,6,8,10-12H,5,7,9H2,1-2H3
InChIKeyNSAUDZDWBUNQHN-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.89
Rot. Bonds4

About 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole

5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole (PubChem CID 169192800) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole
PubChem CID169192800
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole
SMILESCC(C)Oc1cc(F)c(-c2nc(N3CCCc4ccccc43)no2)c(F)c1
InChIInChI=1S/C20H19F2N3O2/c1-12(2)26-14-10-15(21)18(16(22)11-14)19-23-20(24-27-19)25-9-5-7-13-6-3-4-8-17(13)25/h3-4,6,8,10-12H,5,7,9H2,1-2H3
InChIKeyNSAUDZDWBUNQHN-UHFFFAOYSA-N
XLogP4.89
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole (CID 169192800) is 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole is CC(C)Oc1cc(F)c(-c2nc(N3CCCc4ccccc43)no2)c(F)c1.
What is the InChIKey of 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole?
The InChIKey is NSAUDZDWBUNQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-12(2)26-14-10-15(21)18(16(22)11-14)19-23-20(24-27-19)25-9-5-7-13-6-3-4-8-17(13)25/h3-4,6,8,10-12H,5,7,9H2,1-2H3.
What are the key properties of 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole?
5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole has a molecular weight of 371.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-4-propan-2-yloxyphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 169192800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).