[2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol

C18H20N4O2 — CID 126780951

IUPAC[2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
SMILESCn1cc(-c2cc(CN3CCc4ccccc4C3CO)on2)cn1
InChIInChI=1S/C18H20N4O2/c1-21-10-14(9-19-21)17-8-15(24-20-17)11-22-7-6-13-4-2-3-5-16(13)18(22)12-23/h2-5,8-10,18,23H,6-7,11-12H2,1H3
InChIKeyBMWNSNLLQTUMAZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds4

About [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol

[2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol (PubChem CID 126780951) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
PubChem CID126780951
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
SMILESCn1cc(-c2cc(CN3CCc4ccccc4C3CO)on2)cn1
InChIInChI=1S/C18H20N4O2/c1-21-10-14(9-19-21)17-8-15(24-20-17)11-22-7-6-13-4-2-3-5-16(13)18(22)12-23/h2-5,8-10,18,23H,6-7,11-12H2,1H3
InChIKeyBMWNSNLLQTUMAZ-UHFFFAOYSA-N
XLogP2.17
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol with MolForge

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Related Compounds

[(1R)-2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 164640886
(3S)-N-methyl-2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136583018
[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol
CID 154779704
3-(1-methylpyrazol-4-yl)-5-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124883129
2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642488
5-(2-chloroethyl)-3-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 130517133
1-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 86798437
5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 99834149
[(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 96538212
[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 119046613
[5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 75374453
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 124612411

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The IUPAC name of [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol (CID 126780951) is [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol.
What is the SMILES notation for [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The canonical SMILES for [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol is Cn1cc(-c2cc(CN3CCc4ccccc4C3CO)on2)cn1.
What is the InChIKey of [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The InChIKey is BMWNSNLLQTUMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-10-14(9-19-21)17-8-15(24-20-17)11-22-7-6-13-4-2-3-5-16(13)18(22)12-23/h2-5,8-10,18,23H,6-7,11-12H2,1H3.
What are the key properties of [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
[2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol has a molecular weight of 324.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol is sourced from PubChem (CID 126780951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).