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

C19H18N2O3 — CID 3158147

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccccc2O)=NO1)N1CCc2ccccc2C1
InChIInChI=1S/C19H18N2O3/c22-17-8-4-3-7-15(17)16-11-18(24-20-16)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,18,22H,9-12H2
InChIKeyUQLVBFSNDPLPSP-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.47
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 3158147) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID3158147
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccccc2O)=NO1)N1CCc2ccccc2C1
InChIInChI=1S/C19H18N2O3/c22-17-8-4-3-7-15(17)16-11-18(24-20-16)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,18,22H,9-12H2
InChIKeyUQLVBFSNDPLPSP-UHFFFAOYSA-N
XLogP2.47
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.47
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-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 3158147) is 3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is O=C(C1CC(c2ccccc2O)=NO1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is UQLVBFSNDPLPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17-8-4-3-7-15(17)16-11-18(24-20-16)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,18,22H,9-12H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 322.36 g/mol, XLogP of 2.47, 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-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 3158147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).