5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine

C13H16N2O4 — CID 117414884

IUPAC5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
SMILESCOCc1cc(OC)c(OC)c(-c2cc(N)no2)c1
InChIInChI=1S/C13H16N2O4/c1-16-7-8-4-9(10-6-12(14)15-19-10)13(18-3)11(5-8)17-2/h4-6H,7H2,1-3H3,(H2,14,15)
InChIKeyTVFHMQVCVOFMKZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.09
Rot. Bonds5

About 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine

5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117414884) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117414884
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
SMILESCOCc1cc(OC)c(OC)c(-c2cc(N)no2)c1
InChIInChI=1S/C13H16N2O4/c1-16-7-8-4-9(10-6-12(14)15-19-10)13(18-3)11(5-8)17-2/h4-6H,7H2,1-3H3,(H2,14,15)
InChIKeyTVFHMQVCVOFMKZ-UHFFFAOYSA-N
XLogP2.09
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117352540
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117340239
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117454242
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 117384774
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117419900
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414895
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine (CID 117414884) is 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine is COCc1cc(OC)c(OC)c(-c2cc(N)no2)c1.
What is the InChIKey of 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is TVFHMQVCVOFMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-16-7-8-4-9(10-6-12(14)15-19-10)13(18-3)11(5-8)17-2/h4-6H,7H2,1-3H3,(H2,14,15).
What are the key properties of 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 264.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117414884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).