3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine

C13H16N2O4 — CID 117414909

IUPAC3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOCc1cc(OC)c(-c2cc(N)on2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-16-7-8-4-12(18-3)9(5-11(8)17-2)10-6-13(14)19-15-10/h4-6H,7,14H2,1-3H3
InChIKeyHKZLSFSOSVJZCF-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.09
Rot. Bonds5

About 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine

3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117414909) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117414909
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOCc1cc(OC)c(-c2cc(N)on2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-16-7-8-4-12(18-3)9(5-11(8)17-2)10-6-13(14)19-15-10/h4-6H,7,14H2,1-3H3
InChIKeyHKZLSFSOSVJZCF-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

3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117383350
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117317629
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414895
3-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117498194
3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117415535
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428576
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine (CID 117414909) is 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine is COCc1cc(OC)c(-c2cc(N)on2)cc1OC.
What is the InChIKey of 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is HKZLSFSOSVJZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-16-7-8-4-12(18-3)9(5-11(8)17-2)10-6-13(14)19-15-10/h4-6H,7,14H2,1-3H3.
What are the key properties of 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-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 3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117414909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).