3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

C20H18N2O2 — CID 1093796

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)cc1
InChIInChI=1S/C20H18N2O2/c1-14-6-8-16(9-7-14)19-12-18(21-24-19)20(23)22-11-10-15-4-2-3-5-17(15)13-22/h2-9,12H,10-11,13H2,1H3
InChIKeyRMBXMJOACBFGCW-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.85
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 1093796) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID1093796
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)cc1
InChIInChI=1S/C20H18N2O2/c1-14-6-8-16(9-7-14)19-12-18(21-24-19)20(23)22-11-10-15-4-2-3-5-17(15)13-22/h2-9,12H,10-11,13H2,1H3
InChIKeyRMBXMJOACBFGCW-UHFFFAOYSA-N
XLogP3.85
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (CID 1093796) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)cc1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is RMBXMJOACBFGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-6-8-16(9-7-14)19-12-18(21-24-19)20(23)22-11-10-15-4-2-3-5-17(15)13-22/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 1093796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).