5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine

C13H16N2O3 — CID 117373527

IUPAC5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(C)cc(C)c(-c2cc(N)no2)c1OC
InChIInChI=1S/C13H16N2O3/c1-7-5-8(2)12(16-3)13(17-4)11(7)9-6-10(14)15-18-9/h5-6H,1-4H3,(H2,14,15)
InChIKeyLTARMGWEEPDEIG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.56
Rot. Bonds3

About 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine

5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine (PubChem CID 117373527) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
PubChem CID117373527
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(C)cc(C)c(-c2cc(N)no2)c1OC
InChIInChI=1S/C13H16N2O3/c1-7-5-8(2)12(16-3)13(17-4)11(7)9-6-10(14)15-18-9/h5-6H,1-4H3,(H2,14,15)
InChIKeyLTARMGWEEPDEIG-UHFFFAOYSA-N
XLogP2.56
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
5-(4,6-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393410
5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 117349818
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412435
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine (CID 117373527) is 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine is COc1c(C)cc(C)c(-c2cc(N)no2)c1OC.
What is the InChIKey of 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine?
The InChIKey is LTARMGWEEPDEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-5-8(2)12(16-3)13(17-4)11(7)9-6-10(14)15-18-9/h5-6H,1-4H3,(H2,14,15).
What are the key properties of 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine?
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine has a molecular weight of 248.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117373527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).