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

C18H22N2O3 — CID 75374453

IUPAC[5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCCCC1c2ccccc2CCN1C(=O)c1cc(COC)on1
InChIInChI=1S/C18H22N2O3/c1-3-6-17-15-8-5-4-7-13(15)9-10-20(17)18(21)16-11-14(12-22-2)23-19-16/h4-5,7-8,11,17H,3,6,9-10,12H2,1-2H3
InChIKeyKVBBLOCMEXOKCG-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.36
Rot. Bonds5

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

[5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 75374453) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID75374453
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCCCC1c2ccccc2CCN1C(=O)c1cc(COC)on1
InChIInChI=1S/C18H22N2O3/c1-3-6-17-15-8-5-4-7-13(15)9-10-20(17)18(21)16-11-14(12-22-2)23-19-16/h4-5,7-8,11,17H,3,6,9-10,12H2,1-2H3
InChIKeyKVBBLOCMEXOKCG-UHFFFAOYSA-N
XLogP3.36
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 124612411
(4-methylthiadiazol-5-yl)-[(1S)-1-propyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 99796051
4-[(1R)-1-propyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 95330584
[2-(bromomethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80659175
(1R)-1-ethyl-N-[6-(methoxymethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99577079
methyl 4-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoate
CID 97027147
[(2S)-2-(2-aminoethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 124514420
[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 96565687
[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 96565686
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 79539232
(2,4-dimethyl-1,3-oxazol-5-yl)-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71984216
1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one
CID 114499703

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 75374453) is [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CCCC1c2ccccc2CCN1C(=O)c1cc(COC)on1.
What is the InChIKey of [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is KVBBLOCMEXOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-6-17-15-8-5-4-7-13(15)9-10-20(17)18(21)16-11-14(12-22-2)23-19-16/h4-5,7-8,11,17H,3,6,9-10,12H2,1-2H3.
What are the key properties of [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1,2-oxazol-3-yl]-(1-propyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 75374453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).