5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid

C19H17F3N2O5 — CID 121231725

IUPAC5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1-c1ccc(OC)c(-c2cnc(N)o2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H16N2O3.C2HF3O2/c1-20-14-6-4-3-5-12(14)11-7-8-15(21-2)13(9-11)16-10-19-17(18)22-16;3-2(4,5)1(6)7/h3-10H,1-2H3,(H2,18,19);(H,6,7)
InChIKeyJQIUHNZALKZLSP-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.24
Rot. Bonds4

About 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid

5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 121231725) has the molecular formula C19H17F3N2O5 and a molecular weight of 410.35 g/mol. Its IUPAC name is 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID121231725
Molecular FormulaC19H17F3N2O5
Molecular Weight410.35 g/mol
Exact Mass410.11
IUPAC Name5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1-c1ccc(OC)c(-c2cnc(N)o2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H16N2O3.C2HF3O2/c1-20-14-6-4-3-5-12(14)11-7-8-15(21-2)13(9-11)16-10-19-17(18)22-16;3-2(4,5)1(6)7/h3-10H,1-2H3,(H2,18,19);(H,6,7)
InChIKeyJQIUHNZALKZLSP-UHFFFAOYSA-N
XLogP4.24
TPSA107.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid (CID 121231725) is 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid is COc1ccccc1-c1ccc(OC)c(-c2cnc(N)o2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is JQIUHNZALKZLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3.C2HF3O2/c1-20-14-6-4-3-5-12(14)11-7-8-15(21-2)13(9-11)16-10-19-17(18)22-16;3-2(4,5)1(6)7/h3-10H,1-2H3,(H2,18,19);(H,6,7).
What are the key properties of 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid?
5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 410.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-5-(2-methoxyphenyl)phenyl]-1,3-oxazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 121231725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).