2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole

C19H16Cl2N2O — CID 129158144

IUPAC2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3ncco3)c2)C1
InChIInChI=1S/C19H16Cl2N2O/c1-23-10-16(15-8-14(20)9-18(21)17(15)11-23)12-3-2-4-13(7-12)19-22-5-6-24-19/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyCSMVHMLHSXWBMZ-INIZCTEOSA-N
MW359.26 g/mol
LogP5.23
Rot. Bonds2

About 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole

2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole (PubChem CID 129158144) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole
PubChem CID129158144
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3ncco3)c2)C1
InChIInChI=1S/C19H16Cl2N2O/c1-23-10-16(15-8-14(20)9-18(21)17(15)11-23)12-3-2-4-13(7-12)19-22-5-6-24-19/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyCSMVHMLHSXWBMZ-INIZCTEOSA-N
XLogP5.23
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole (CID 129158144) is 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3ncco3)c2)C1.
What is the InChIKey of 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole?
The InChIKey is CSMVHMLHSXWBMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-23-10-16(15-8-14(20)9-18(21)17(15)11-23)12-3-2-4-13(7-12)19-22-5-6-24-19/h2-9,16H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole?
2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole has a molecular weight of 359.26 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 129158144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).