3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one

C20H16N2O2 — CID 144543680

IUPAC3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one
SMILESCCc1cc2cccc(-c3cnoc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-2-16-11-14-7-6-10-18(15-12-21-24-13-15)19(14)20(23)22(16)17-8-4-3-5-9-17/h3-13H,2H2,1H3
InChIKeyCZDCSHASKGREDC-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.21
Rot. Bonds3

About 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one

3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one (PubChem CID 144543680) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one
PubChem CID144543680
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one
SMILESCCc1cc2cccc(-c3cnoc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-2-16-11-14-7-6-10-18(15-12-21-24-13-15)19(14)20(23)22(16)17-8-4-3-5-9-17/h3-13H,2H2,1H3
InChIKeyCZDCSHASKGREDC-UHFFFAOYSA-N
XLogP4.21
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-Benzyl-2-ethyl-6-(1,2-oxazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 145971415
US20250368634, Example 61
CID 176888757
N-[3-fluoro-5-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide
CID 164572176
N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide
CID 164572573
4-[1-[3-Amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(1,2-oxazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 175583135
4-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(1,2-oxazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 175583137
4-Isoxazolylnaphthalimide
CID 155490341
N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline
CID 58178338
N-(3-cyanophenyl)-N-(3-isoxazol-4-ylbenzyl)propanamide
CID 66848265
2-cyano-3-imino-N'-[1-[5-(1,2-oxazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]propanimidamide
CID 123210969
2-cyano-3-imino-N'-[1-[8-(1,2-oxazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]propanimidamide
CID 123283497
[Amino-[6-[[2-[3-(1,2-oxazol-4-yl)phenyl]acetyl]amino]naphthalen-2-yl]methylidene]azanium
CID 150622976

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one?
The IUPAC name of 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one (CID 144543680) is 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one.
What is the SMILES notation for 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one?
The canonical SMILES for 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one is CCc1cc2cccc(-c3cnoc3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one?
The InChIKey is CZDCSHASKGREDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-16-11-14-7-6-10-18(15-12-21-24-13-15)19(14)20(23)22(16)17-8-4-3-5-9-17/h3-13H,2H2,1H3.
What are the key properties of 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one?
3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one has a molecular weight of 316.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(1,2-oxazol-4-yl)-2-phenylisoquinolin-1-one is sourced from PubChem (CID 144543680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).