4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine

C12H11F3N2O3 — CID 15613902

IUPAC4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2C(F)(F)F)cc1OC
InChIInChI=1S/C12H11F3N2O3/c1-18-7-4-3-6(5-8(7)19-2)9-10(12(13,14)15)20-17-11(9)16/h3-5H,1-2H3,(H2,16,17)
InChIKeySBRZSWXCXFQYEH-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.96
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine

4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine (PubChem CID 15613902) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
PubChem CID15613902
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2C(F)(F)F)cc1OC
InChIInChI=1S/C12H11F3N2O3/c1-18-7-4-3-6(5-8(7)19-2)9-10(12(13,14)15)20-17-11(9)16/h3-5H,1-2H3,(H2,16,17)
InChIKeySBRZSWXCXFQYEH-UHFFFAOYSA-N
XLogP2.96
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-Methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 51138522
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
CID 76324944
4-(3,4,5-Triethoxyphenyl)-3-isoxazolamine
CID 973111
5-(4-Methoxyphenyl)-1,2-oxazol-3-amine
CID 17390283
4-(4-Methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
CID 15613900
4-(3,4-Dimethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 15613901
4-(1,3-Benzodioxol-5-yl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
CID 15613904
5-(3-Fluoro-4-methoxyphenyl)isoxazol-3-amine
CID 65814742
4-Ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66197834
5-[4-(Difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine
CID 66197835
5-(3-Fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66197913
4-[4-(Difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66197938

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine (CID 15613902) is 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine is COc1ccc(-c2c(N)noc2C(F)(F)F)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The InChIKey is SBRZSWXCXFQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-18-7-4-3-6(5-8(7)19-2)9-10(12(13,14)15)20-17-11(9)16/h3-5H,1-2H3,(H2,16,17).
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine has a molecular weight of 288.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 15613902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).