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

C19H16N2O3 — CID 5308837

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2cccc(O)c2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C19H16N2O3/c22-16-7-3-6-14(10-16)18-11-17(20-24-18)19(23)21-9-8-13-4-1-2-5-15(13)12-21/h1-7,10-11,22H,8-9,12H2
InChIKeyAQTYMDRQZSCWPQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.25
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 5308837) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID5308837
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2cccc(O)c2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C19H16N2O3/c22-16-7-3-6-14(10-16)18-11-17(20-24-18)19(23)21-9-8-13-4-1-2-5-15(13)12-21/h1-7,10-11,22H,8-9,12H2
InChIKeyAQTYMDRQZSCWPQ-UHFFFAOYSA-N
XLogP3.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone (CID 5308837) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2cccc(O)c2)on1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is AQTYMDRQZSCWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-16-7-3-6-14(10-16)18-11-17(20-24-18)19(23)21-9-8-13-4-1-2-5-15(13)12-21/h1-7,10-11,22H,8-9,12H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 320.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 5308837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).