(4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole

C19H16N2O — CID 102172766

IUPAC(4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3ccc4ccccc4n3)=N2)cc1
InChIInChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(20-16)18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyDYPJONUSIRRGAX-INIZCTEOSA-N
MW288.35 g/mol
LogP3.62
Rot. Bonds3

About (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 102172766) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID102172766
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3ccc4ccccc4n3)=N2)cc1
InChIInChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(20-16)18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyDYPJONUSIRRGAX-INIZCTEOSA-N
XLogP3.62
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-Dihydro-2-oxazolyl)quinoline
CID 828047
1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212
2-Quinolinemethanol
CID 73196
3-[(Benzyloxy)methyl]-5-fluoro-2-methylquinolin-4-amine
CID 11098484
2-Phenoxymethyl-quinoline
CID 13770359
3-(Methoxymethyl)-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432679
(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine
CID 2734679
2,6-Bis(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
CID 3921300
(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine
CID 7010100
2,6-Bis((4S,5S)-4-methyl-5-phenyl-2-oxazolinyl)pyridine
CID 10834631
2,6-Bis[(4R,5R)-4-methyl-5-phenyl-2-oxazolinyl]pyridine
CID 11954762
2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine
CID 12177006

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole (CID 102172766) is (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(c3ccc4ccccc4n3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is DYPJONUSIRRGAX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(20-16)18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2/t16-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 288.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102172766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).