N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

C22H22FN3O3 — CID 53180546

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C22H22FN3O3/c23-19-7-5-17(6-8-19)20-14-26(22(28)29-20)15-21(27)24-10-12-25-11-9-16-3-1-2-4-18(16)13-25/h1-8,14H,9-13,15H2,(H,24,27)
InChIKeySLGSPYWVWCPDHK-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.42
Rot. Bonds6

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (PubChem CID 53180546) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
PubChem CID53180546
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C22H22FN3O3/c23-19-7-5-17(6-8-19)20-14-26(22(28)29-20)15-21(27)24-10-12-25-11-9-16-3-1-2-4-18(16)13-25/h1-8,14H,9-13,15H2,(H,24,27)
InChIKeySLGSPYWVWCPDHK-UHFFFAOYSA-N
XLogP2.42
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide 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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37495697
2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 87051704
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 39616511
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026951
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 4206556
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 38554479
2-(2-benzoylpyrrol-1-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 6620200
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one
CID 53180493
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111230424
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (CID 53180546) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCN1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The InChIKey is SLGSPYWVWCPDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-19-7-5-17(6-8-19)20-14-26(22(28)29-20)15-21(27)24-10-12-25-11-9-16-3-1-2-4-18(16)13-25/h1-8,14H,9-13,15H2,(H,24,27).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is sourced from PubChem (CID 53180546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).