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

C12H15N3O2 — CID 62442813

IUPACN-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COc2ccc(C)nc2)on1
InChIInChI=1S/C12H15N3O2/c1-9-3-4-11(7-14-9)16-8-12-5-10(6-13-2)15-17-12/h3-5,7,13H,6,8H2,1-2H3
InChIKeyXQESUSJSIGREIW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds5

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

N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62442813) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62442813
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COc2ccc(C)nc2)on1
InChIInChI=1S/C12H15N3O2/c1-9-3-4-11(7-14-9)16-8-12-5-10(6-13-2)15-17-12/h3-5,7,13H,6,8H2,1-2H3
InChIKeyXQESUSJSIGREIW-UHFFFAOYSA-N
XLogP1.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine (CID 62442813) is N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine is CNCc1cc(COc2ccc(C)nc2)on1.
What is the InChIKey of N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is XQESUSJSIGREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-3-4-11(7-14-9)16-8-12-5-10(6-13-2)15-17-12/h3-5,7,13H,6,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62442813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).