5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine

C13H15N3O — CID 117330704

IUPAC5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine
SMILESCN1CCCc2ccc(-c3cc(N)no3)cc21
InChIInChI=1S/C13H15N3O/c1-16-6-2-3-9-4-5-10(7-11(9)16)12-8-13(14)15-17-12/h4-5,7-8H,2-3,6H2,1H3,(H2,14,15)
InChIKeyLEPJYBHLXKEALR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.31
Rot. Bonds1

About 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine

5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine (PubChem CID 117330704) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine
PubChem CID117330704
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine
SMILESCN1CCCc2ccc(-c3cc(N)no3)cc21
InChIInChI=1S/C13H15N3O/c1-16-6-2-3-9-4-5-10(7-11(9)16)12-8-13(14)15-17-12/h4-5,7-8H,2-3,6H2,1H3,(H2,14,15)
InChIKeyLEPJYBHLXKEALR-UHFFFAOYSA-N
XLogP2.31
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine (CID 117330704) is 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine is CN1CCCc2ccc(-c3cc(N)no3)cc21.
What is the InChIKey of 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine?
The InChIKey is LEPJYBHLXKEALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-6-2-3-9-4-5-10(7-11(9)16)12-8-13(14)15-17-12/h4-5,7-8H,2-3,6H2,1H3,(H2,14,15).
What are the key properties of 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine?
5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117330704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).