(4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole

C19H16N2O — CID 11208459

IUPAC(4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3cccc4cccnc34)=N2)cc1
InChIInChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(21-16)17-10-4-8-15-9-5-11-20-18(15)17/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyUJADDXAPWQSGKQ-INIZCTEOSA-N
MW288.35 g/mol
LogP3.62
Rot. Bonds3

About (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole (PubChem CID 11208459) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole
PubChem CID11208459
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(c3cccc4cccnc34)=N2)cc1
InChIInChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(21-16)17-10-4-8-15-9-5-11-20-18(15)17/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyUJADDXAPWQSGKQ-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

Analyze (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-Dihydro-2-oxazolyl)quinoline
CID 828047
2-morpholino-6-(quinolin-8-yl)-4H-pyran-4-one
CID 16204049
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1-ethyl-3-(4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3545527
4-(4-Phenoxybutoxy)quinoline
CID 42631043
8-Methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
CID 15176150
8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176157
Quinolin-8-ylmethanol
CID 594412
7-(3-(Methoxymethyl)phenyl)-2-methylquinoline
CID 44432664
3-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethyl-1H-indole
CID 3427821
3-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10552447

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole (CID 11208459) is (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(c3cccc4cccnc34)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is UJADDXAPWQSGKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(21-16)17-10-4-8-15-9-5-11-20-18(15)17/h1-11,16H,12-13H2/t16-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-quinolin-8-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-8-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11208459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).