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

C13H16N2O2 — CID 82128869

IUPAC[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCOc1cc(C)c(-c2ncoc2CN)cc1C
InChIInChI=1S/C13H16N2O2/c1-8-5-11(16-3)9(2)4-10(8)13-12(6-14)17-7-15-13/h4-5,7H,6,14H2,1-3H3
InChIKeyDYHMBGPLZWUSHZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.43
Rot. Bonds3

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

[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 82128869) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
PubChem CID82128869
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCOc1cc(C)c(-c2ncoc2CN)cc1C
InChIInChI=1S/C13H16N2O2/c1-8-5-11(16-3)9(2)4-10(8)13-12(6-14)17-7-15-13/h4-5,7H,6,14H2,1-3H3
InChIKeyDYHMBGPLZWUSHZ-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

[4-(2,4-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82129188
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82134755
[4-(2,4,6-trimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82127074
[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82479432
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901
[4-(4-methoxy-2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82483544
2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82479088
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine
CID 116822857
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine (CID 82128869) is [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine is COc1cc(C)c(-c2ncoc2CN)cc1C.
What is the InChIKey of [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is DYHMBGPLZWUSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-5-11(16-3)9(2)4-10(8)13-12(6-14)17-7-15-13/h4-5,7H,6,14H2,1-3H3.
What are the key properties of [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine?
[4-(4-methoxy-2,5-dimethylphenyl)-1,3-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 [4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 82128869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).