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

C14H18N2O4 — CID 117446006

IUPAC5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(OC)cc1OC(C)C
InChIInChI=1S/C14H18N2O4/c1-8(2)19-13-6-10(17-3)9(5-12(13)18-4)11-7-14(15)16-20-11/h5-8H,1-4H3,(H2,15,16)
InChIKeyQAAMIKFFRUMLDQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.73
Rot. Bonds5

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

5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117446006) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
PubChem CID117446006
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(OC)cc1OC(C)C
InChIInChI=1S/C14H18N2O4/c1-8(2)19-13-6-10(17-3)9(5-12(13)18-4)11-7-14(15)16-20-11/h5-8H,1-4H3,(H2,15,16)
InChIKeyQAAMIKFFRUMLDQ-UHFFFAOYSA-N
XLogP2.73
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117454242
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117373528
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
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-(2-methoxy-5-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117405267
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461607
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117419900

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (CID 117446006) is 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is COc1cc(-c2cc(N)no2)c(OC)cc1OC(C)C.
What is the InChIKey of 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is QAAMIKFFRUMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(2)19-13-6-10(17-3)9(5-12(13)18-4)11-7-14(15)16-20-11/h5-8H,1-4H3,(H2,15,16).
What are the key properties of 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 278.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117446006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).