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

C14H18N2O2 — CID 82479432

IUPAC[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCOc1cc(C)c(-c2onc(C)c2CN)cc1C
InChIInChI=1S/C14H18N2O2/c1-8-6-13(17-4)9(2)5-11(8)14-12(7-15)10(3)16-18-14/h5-6H,7,15H2,1-4H3
InChIKeyBKXVZBXURHUQIN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.73
Rot. Bonds3

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

[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine (PubChem CID 82479432) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
PubChem CID82479432
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCOc1cc(C)c(-c2onc(C)c2CN)cc1C
InChIInChI=1S/C14H18N2O2/c1-8-6-13(17-4)9(2)5-11(8)14-12(7-15)10(3)16-18-14/h5-6H,7,15H2,1-4H3
InChIKeyBKXVZBXURHUQIN-UHFFFAOYSA-N
XLogP2.73
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine with MolForge

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Related Compounds

2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 96669709
[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82483679
5-(4,5-dimethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 98020637
2-[4-(aminomethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 136765417
[4-(4-methoxy-2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82483544
[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82128869
[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82086154
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine
CID 117110094
5-(4-methoxy-2,5-dimethylphenyl)-1,2-oxazole
CID 116868805
2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82487138
3-[5-(2-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302130

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine (CID 82479432) is [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine is COc1cc(C)c(-c2onc(C)c2CN)cc1C.
What is the InChIKey of [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The InChIKey is BKXVZBXURHUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-6-13(17-4)9(2)5-11(8)14-12(7-15)10(3)16-18-14/h5-6H,7,15H2,1-4H3.
What are the key properties of [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82479432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).