3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine

C12H12F2N2O3 — CID 117428576

IUPAC3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(OC)c(C(F)F)cc1-c1cc(N)on1
InChIInChI=1S/C12H12F2N2O3/c1-17-9-5-10(18-2)7(12(13)14)3-6(9)8-4-11(15)19-16-8/h3-5,12H,15H2,1-2H3
InChIKeyQCUSAYXWYBDTGZ-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.88
Rot. Bonds4

About 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine

3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117428576) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117428576
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Name3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(OC)c(C(F)F)cc1-c1cc(N)on1
InChIInChI=1S/C12H12F2N2O3/c1-17-9-5-10(18-2)7(12(13)14)3-6(9)8-4-11(15)19-16-8/h3-5,12H,15H2,1-2H3
InChIKeyQCUSAYXWYBDTGZ-UHFFFAOYSA-N
XLogP2.88
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117299819
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
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
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117461612

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine (CID 117428576) is 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine is COc1cc(OC)c(C(F)F)cc1-c1cc(N)on1.
What is the InChIKey of 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is QCUSAYXWYBDTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c1-17-9-5-10(18-2)7(12(13)14)3-6(9)8-4-11(15)19-16-8/h3-5,12H,15H2,1-2H3.
What are the key properties of 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine?
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 270.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117428576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).