[3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C21H21N3O3 — CID 126774303

IUPAC[3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOCc1cccc(C(=O)N2Cc3ccccc3CC2c2nnc(C)o2)c1
InChIInChI=1S/C21H21N3O3/c1-14-22-23-20(27-14)19-11-16-7-3-4-8-18(16)12-24(19)21(25)17-9-5-6-15(10-17)13-26-2/h3-10,19H,11-13H2,1-2H3
InChIKeyPEYBSJWTMFRQJC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.46
Rot. Bonds4

About [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

[3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 126774303) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID126774303
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name[3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOCc1cccc(C(=O)N2Cc3ccccc3CC2c2nnc(C)o2)c1
InChIInChI=1S/C21H21N3O3/c1-14-22-23-20(27-14)19-11-16-7-3-4-8-18(16)12-24(19)21(25)17-9-5-6-15(10-17)13-26-2/h3-10,19H,11-13H2,1-2H3
InChIKeyPEYBSJWTMFRQJC-UHFFFAOYSA-N
XLogP3.46
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone 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 [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 126774303) is [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COCc1cccc(C(=O)N2Cc3ccccc3CC2c2nnc(C)o2)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is PEYBSJWTMFRQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-22-23-20(27-14)19-11-16-7-3-4-8-18(16)12-24(19)21(25)17-9-5-6-15(10-17)13-26-2/h3-10,19H,11-13H2,1-2H3.
What are the key properties of [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
[3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 126774303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).