2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H16F2N2O2 — CID 30850481

IUPAC2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1cc(-c2ccc(F)cc2F)on1)N1CCCc2ccccc21
InChIInChI=1S/C20H16F2N2O2/c21-14-7-8-16(17(22)10-14)19-11-15(23-26-19)12-20(25)24-9-3-5-13-4-1-2-6-18(13)24/h1-2,4,6-8,10-11H,3,5,9,12H2
InChIKeyLPDYDMHVGMGRRK-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.14
Rot. Bonds3

About 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 30850481) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID30850481
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1cc(-c2ccc(F)cc2F)on1)N1CCCc2ccccc21
InChIInChI=1S/C20H16F2N2O2/c21-14-7-8-16(17(22)10-14)19-11-15(23-26-19)12-20(25)24-9-3-5-13-4-1-2-6-18(13)24/h1-2,4,6-8,10-11H,3,5,9,12H2
InChIKeyLPDYDMHVGMGRRK-UHFFFAOYSA-N
XLogP4.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 30850481) is 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(Cc1cc(-c2ccc(F)cc2F)on1)N1CCCc2ccccc21.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is LPDYDMHVGMGRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c21-14-7-8-16(17(22)10-14)19-11-15(23-26-19)12-20(25)24-9-3-5-13-4-1-2-6-18(13)24/h1-2,4,6-8,10-11H,3,5,9,12H2.
What are the key properties of 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 354.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 30850481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).