3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C19H17FN2O2 — CID 5309929

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1
InChIInChI=1S/C19H17FN2O2/c20-16-7-5-14(6-8-16)17-11-18(24-21-17)19(23)22-10-9-13-3-1-2-4-15(13)12-22/h1-8,18H,9-12H2
InChIKeyJHUODAGHIWWATE-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.90
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 5309929) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID5309929
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1
InChIInChI=1S/C19H17FN2O2/c20-16-7-5-14(6-8-16)17-11-18(24-21-17)19(23)22-10-9-13-3-1-2-4-15(13)12-22/h1-8,18H,9-12H2
InChIKeyJHUODAGHIWWATE-UHFFFAOYSA-N
XLogP2.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 5309929) is 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is JHUODAGHIWWATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-7-5-14(6-8-16)17-11-18(24-21-17)19(23)22-10-9-13-3-1-2-4-15(13)12-22/h1-8,18H,9-12H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 324.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 5309929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).