[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine

C11H15N3O2 — CID 118679340

IUPAC[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
SMILESCc1ccc(OCC2CC(CN)=NO2)cn1
InChIInChI=1S/C11H15N3O2/c1-8-2-3-10(6-13-8)15-7-11-4-9(5-12)14-16-11/h2-3,6,11H,4-5,7,12H2,1H3
InChIKeyKNRYWWNKFURFOZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds4

About [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine

[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine (PubChem CID 118679340) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
PubChem CID118679340
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
SMILESCc1ccc(OCC2CC(CN)=NO2)cn1
InChIInChI=1S/C11H15N3O2/c1-8-2-3-10(6-13-8)15-7-11-4-9(5-12)14-16-11/h2-3,6,11H,4-5,7,12H2,1H3
InChIKeyKNRYWWNKFURFOZ-UHFFFAOYSA-N
XLogP0.87
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine (CID 118679340) is [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine is Cc1ccc(OCC2CC(CN)=NO2)cn1.
What is the InChIKey of [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The InChIKey is KNRYWWNKFURFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-2-3-10(6-13-8)15-7-11-4-9(5-12)14-16-11/h2-3,6,11H,4-5,7,12H2,1H3.
What are the key properties of [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine has a molecular weight of 221.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 118679340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).