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

C13H17N3O2 — CID 103175605

IUPAC[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCCc1nc(C)ccc1OCc1cc(CN)no1
InChIInChI=1S/C13H17N3O2/c1-3-12-13(5-4-9(2)15-12)17-8-11-6-10(7-14)16-18-11/h4-6H,3,7-8,14H2,1-2H3
InChIKeyQWOVLJVQHNHOLS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.98
Rot. Bonds5

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

[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 103175605) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
PubChem CID103175605
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCCc1nc(C)ccc1OCc1cc(CN)no1
InChIInChI=1S/C13H17N3O2/c1-3-12-13(5-4-9(2)15-12)17-8-11-6-10(7-14)16-18-11/h4-6H,3,7-8,14H2,1-2H3
InChIKeyQWOVLJVQHNHOLS-UHFFFAOYSA-N
XLogP1.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine with MolForge

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Related Compounds

N-[[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 103175612
[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150560
[5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62452181
[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62458540
N-[[6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79150848
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
1-[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]furan-2-yl]-N-methylmethanamine
CID 103175544
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-methylfuran-3-carbohydrazide
CID 103175971
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 103175647
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 115402782
(5-ethyl-1,2-oxazol-3-yl)methanamine
CID 23006259
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470

Frequently Asked Questions

What is the IUPAC name of [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine (CID 103175605) is [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine is CCc1nc(C)ccc1OCc1cc(CN)no1.
What is the InChIKey of [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is QWOVLJVQHNHOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-12-13(5-4-9(2)15-12)17-8-11-6-10(7-14)16-18-11/h4-6H,3,7-8,14H2,1-2H3.
What are the key properties of [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 103175605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).