4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole

C24H18ClFN2O3S — CID 18825753

IUPAC4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1N1CCc2ccccc2C1
InChIInChI=1S/C24H18ClFN2O3S/c25-19-7-11-21(12-8-19)32(29,30)23-24(28-14-13-16-3-1-2-4-18(16)15-28)31-22(27-23)17-5-9-20(26)10-6-17/h1-12H,13-15H2
InChIKeyHQHRPRZOXRKJHK-UHFFFAOYSA-N
MW468.94 g/mol
LogP5.53
Rot. Bonds4

About 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole

4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole (PubChem CID 18825753) has the molecular formula C24H18ClFN2O3S and a molecular weight of 468.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole
PubChem CID18825753
Molecular FormulaC24H18ClFN2O3S
Molecular Weight468.94 g/mol
Exact Mass468.07
IUPAC Name4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1N1CCc2ccccc2C1
InChIInChI=1S/C24H18ClFN2O3S/c25-19-7-11-21(12-8-19)32(29,30)23-24(28-14-13-16-3-1-2-4-18(16)15-28)31-22(27-23)17-5-9-20(26)10-6-17/h1-12H,13-15H2
InChIKeyHQHRPRZOXRKJHK-UHFFFAOYSA-N
XLogP5.53
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-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-chlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 2348522
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole
CID 16649789
4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)-1,3-oxazole
CID 18826461
1-[4-[4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]butan-1-one
CID 51045447
2-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18825952
2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18825898
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2964756
2-(4-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18825915
5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 18825236
5-(azepan-1-yl)-2-(4-chlorophenyl)-4-(4-ethylphenyl)sulfonyl-1,3-oxazole
CID 18890386
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazole
CID 18827069
5-(azepan-1-yl)-2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole
CID 2139826

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole (CID 18825753) is 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1N1CCc2ccccc2C1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is HQHRPRZOXRKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O3S/c25-19-7-11-21(12-8-19)32(29,30)23-24(28-14-13-16-3-1-2-4-18(16)15-28)31-22(27-23)17-5-9-20(26)10-6-17/h1-12H,13-15H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole?
4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 468.94 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 18825753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).