2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

C19H27N3O2 — CID 127266060

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1cc(CNCC(C)(C)N2CCc3ccccc3C2)no1
InChIInChI=1S/C19H27N3O2/c1-19(2,14-20-11-17-10-18(13-23-3)24-21-17)22-9-8-15-6-4-5-7-16(15)12-22/h4-7,10,20H,8-9,11-14H2,1-3H3
InChIKeyFNELSIPTDCIJSJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.75
Rot. Bonds7

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 127266060) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID127266060
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1cc(CNCC(C)(C)N2CCc3ccccc3C2)no1
InChIInChI=1S/C19H27N3O2/c1-19(2,14-20-11-17-10-18(13-23-3)24-21-17)22-9-8-15-6-4-5-7-16(15)12-22/h4-7,10,20H,8-9,11-14H2,1-3H3
InChIKeyFNELSIPTDCIJSJ-UHFFFAOYSA-N
XLogP2.75
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (CID 127266060) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is COCc1cc(CNCC(C)(C)N2CCc3ccccc3C2)no1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FNELSIPTDCIJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,14-20-11-17-10-18(13-23-3)24-21-17)22-9-8-15-6-4-5-7-16(15)12-22/h4-7,10,20H,8-9,11-14H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 127266060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).