[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine

C13H16N2O2 — CID 83850499

IUPAC[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine
SMILESCOc1ccc(-c2noc(CN)c2C)cc1C
InChIInChI=1S/C13H16N2O2/c1-8-6-10(4-5-11(8)16-3)13-9(2)12(7-14)17-15-13/h4-6H,7,14H2,1-3H3
InChIKeyHZRBYBJLVHJPNC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.43
Rot. Bonds3

About [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine

[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine (PubChem CID 83850499) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine
PubChem CID83850499
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine
SMILESCOc1ccc(-c2noc(CN)c2C)cc1C
InChIInChI=1S/C13H16N2O2/c1-8-6-10(4-5-11(8)16-3)13-9(2)12(7-14)17-15-13/h4-6H,7,14H2,1-3H3
InChIKeyHZRBYBJLVHJPNC-UHFFFAOYSA-N
XLogP2.43
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82371289
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82135501
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
CID 83850253
5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
CID 82370481
(1R)-1-[3-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901771
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-amine
CID 62132077
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine (CID 83850499) is [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine is COc1ccc(-c2noc(CN)c2C)cc1C.
What is the InChIKey of [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine?
The InChIKey is HZRBYBJLVHJPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-6-10(4-5-11(8)16-3)13-9(2)12(7-14)17-15-13/h4-6H,7,14H2,1-3H3.
What are the key properties of [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine?
[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine has a molecular weight of 232.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 83850499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).