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

C13H16N2O3 — CID 117373551

IUPAC3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)c(OC)c(C)c1C
InChIInChI=1S/C13H16N2O3/c1-7-8(2)13(17-4)9(5-11(7)16-3)10-6-12(14)18-15-10/h5-6H,14H2,1-4H3
InChIKeyGYFQYPHATPGQIG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.56
Rot. Bonds3

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

3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 117373551) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
PubChem CID117373551
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)c(OC)c(C)c1C
InChIInChI=1S/C13H16N2O3/c1-7-8(2)13(17-4)9(5-11(7)16-3)10-6-12(14)18-15-10/h5-6H,14H2,1-4H3
InChIKeyGYFQYPHATPGQIG-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

3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117454226
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
CID 117414574
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine (CID 117373551) is 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cc(N)on2)c(OC)c(C)c1C.
What is the InChIKey of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is GYFQYPHATPGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-8(2)13(17-4)9(5-11(7)16-3)10-6-12(14)18-15-10/h5-6H,14H2,1-4H3.
What are the key properties of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine?
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-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 3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117373551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).