3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine

C19H21N3O3 — CID 56775535

IUPAC3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine
SMILESCOCc1cc(CC2(NCc3cnc4ccccc4c3)COC2)no1
InChIInChI=1S/C19H21N3O3/c1-23-11-17-7-16(22-25-17)8-19(12-24-13-19)21-10-14-6-15-4-2-3-5-18(15)20-9-14/h2-7,9,21H,8,10-13H2,1H3
InChIKeyKJUVAMNQHHGHQI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.47
Rot. Bonds7

About 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine

3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine (PubChem CID 56775535) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine
PubChem CID56775535
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine
SMILESCOCc1cc(CC2(NCc3cnc4ccccc4c3)COC2)no1
InChIInChI=1S/C19H21N3O3/c1-23-11-17-7-16(22-25-17)8-19(12-24-13-19)21-10-14-6-15-4-2-3-5-18(15)20-9-14/h2-7,9,21H,8,10-13H2,1H3
InChIKeyKJUVAMNQHHGHQI-UHFFFAOYSA-N
XLogP2.47
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine?
The IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine (CID 56775535) is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine?
The canonical SMILES for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine is COCc1cc(CC2(NCc3cnc4ccccc4c3)COC2)no1.
What is the InChIKey of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine?
The InChIKey is KJUVAMNQHHGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-23-11-17-7-16(22-25-17)8-19(12-24-13-19)21-10-14-6-15-4-2-3-5-18(15)20-9-14/h2-7,9,21H,8,10-13H2,1H3.
What are the key properties of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine?
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine has a molecular weight of 339.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine is sourced from PubChem (CID 56775535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).