6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one

C15H17N3O2 — CID 95474315

IUPAC6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cnc(CCN)o3)ccc21
InChIInChI=1S/C15H17N3O2/c1-18-12-4-2-11(8-10(12)3-5-15(18)19)13-9-17-14(20-13)6-7-16/h2,4,8-9H,3,5-7,16H2,1H3
InChIKeyZGIFQLUBROQQCE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.75
Rot. Bonds3

About 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one

6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 95474315) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID95474315
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cnc(CCN)o3)ccc21
InChIInChI=1S/C15H17N3O2/c1-18-12-4-2-11(8-10(12)3-5-15(18)19)13-9-17-14(20-13)6-7-16/h2,4,8-9H,3,5-7,16H2,1H3
InChIKeyZGIFQLUBROQQCE-UHFFFAOYSA-N
XLogP1.75
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Phenyl-1,3-oxazol-2-yl)aniline
CID 854968
7-(4-Aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735384
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
4-(1,3-Oxazol-5-yl)aniline
CID 517747
1-(5-(2-Aminophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110631
1-(5-(4-Aminophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110703
N,N-diethyl-2-[4-[4-(5-ethyl-1,3-oxazol-2-yl)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055783
(2R)-2-amino-N-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 117813260
(3S,6S)-6-(6-oxooctyl)-31-oxa-5,8,19,25-tetrazahexacyclo[23.2.2.17,10.111,15.01,3.014,19]hentriaconta-7,9,11(30),12,14,16-hexaene-4,18-dione
CID 155140214
N1-[4-(1,3-oxazol-5-yl)phenyl]-2,2-dimethylpropanamide
CID 2806322
4-{[4-(2-Phenyl-1,3-oxazol-5-yl)phenyl]amino}-3-penten-2-one
CID 5310855
N'-tert-butyl-N-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 44291528

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one (CID 95474315) is 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cnc(CCN)o3)ccc21.
What is the InChIKey of 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZGIFQLUBROQQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-12-4-2-11(8-10(12)3-5-15(18)19)13-9-17-14(20-13)6-7-16/h2,4,8-9H,3,5-7,16H2,1H3.
What are the key properties of 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 95474315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).