2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine

C15H19N3O — CID 83870641

IUPAC2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
SMILESNCCc1onc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H19N3O/c16-8-6-15-13-7-9-18(11-14(13)17-19-15)10-12-4-2-1-3-5-12/h1-5H,6-11,16H2
InChIKeyONCGJJHDCOZENF-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.73
Rot. Bonds4

About 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine

2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine (PubChem CID 83870641) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
PubChem CID83870641
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
SMILESNCCc1onc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H19N3O/c16-8-6-15-13-7-9-18(11-14(13)17-19-15)10-12-4-2-1-3-5-12/h1-5H,6-11,16H2
InChIKeyONCGJJHDCOZENF-UHFFFAOYSA-N
XLogP1.73
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870647
6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine
CID 83870732
2-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851705
2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine
CID 82379502
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
CID 83870694
(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)methanamine
CID 82386780
2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine
CID 83870636
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 122460970

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine (CID 83870641) is 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine is NCCc1onc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine?
The InChIKey is ONCGJJHDCOZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-8-6-15-13-7-9-18(11-14(13)17-19-15)10-12-4-2-1-3-5-12/h1-5H,6-11,16H2.
What are the key properties of 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine?
2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine is sourced from PubChem (CID 83870641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).