1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one

C19H20N2O3 — CID 4775686

IUPAC1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2cc(-c3ccccc3)on2)C2CCCCC12
InChIInChI=1S/C19H20N2O3/c22-17-10-11-21(16-9-5-4-8-14(16)17)19(23)15-12-18(24-20-15)13-6-2-1-3-7-13/h1-3,6-7,12,14,16H,4-5,8-11H2
InChIKeyRIKNVRXYPYXSLH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.32
Rot. Bonds2

About 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one

1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one (PubChem CID 4775686) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one.

Molecular Properties

Compound Name1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
PubChem CID4775686
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2cc(-c3ccccc3)on2)C2CCCCC12
InChIInChI=1S/C19H20N2O3/c22-17-10-11-21(16-9-5-4-8-14(16)17)19(23)15-12-18(24-20-15)13-6-2-1-3-7-13/h1-3,6-7,12,14,16H,4-5,8-11H2
InChIKeyRIKNVRXYPYXSLH-UHFFFAOYSA-N
XLogP3.32
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one with MolForge

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Related Compounds

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CID 1093742
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CID 1093785
CID 1093785
CID 1093787
CID 1093787
CID 1093865
CID 1093865
CID 1249903
CID 1249903
CID 17252686
CID 17252686
CID 1250455
CID 1250455
CID 2217157
CID 2217157
CID 17252726
CID 17252726
CID 60167648
CID 60167648

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?
The IUPAC name of 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one (CID 4775686) is 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one.
What is the SMILES notation for 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?
The canonical SMILES for 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one is O=C1CCN(C(=O)c2cc(-c3ccccc3)on2)C2CCCCC12.
What is the InChIKey of 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?
The InChIKey is RIKNVRXYPYXSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-17-10-11-21(16-9-5-4-8-14(16)17)19(23)15-12-18(24-20-15)13-6-2-1-3-7-13/h1-3,6-7,12,14,16H,4-5,8-11H2.
What are the key properties of 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?
1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one has a molecular weight of 324.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2-oxazole-3-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one is sourced from PubChem (CID 4775686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).