3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine

C19H19FN2O2 — CID 18693345

IUPAC3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESCCOC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)on1
InChIInChI=1S/C19H19FN2O2/c1-3-23-19(2,17-12-18(21)24-22-17)14-9-10-15(16(20)11-14)13-7-5-4-6-8-13/h4-12H,3,21H2,1-2H3
InChIKeyRNOLKFGTMHHMST-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.36
Rot. Bonds5

About 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine

3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine (PubChem CID 18693345) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
PubChem CID18693345
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESCCOC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)on1
InChIInChI=1S/C19H19FN2O2/c1-3-23-19(2,17-12-18(21)24-22-17)14-9-10-15(16(20)11-14)13-7-5-4-6-8-13/h4-12H,3,21H2,1-2H3
InChIKeyRNOLKFGTMHHMST-UHFFFAOYSA-N
XLogP4.36
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine (CID 18693345) is 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine is CCOC(C)(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)on1.
What is the InChIKey of 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is RNOLKFGTMHHMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-23-19(2,17-12-18(21)24-22-17)14-9-10-15(16(20)11-14)13-7-5-4-6-8-13/h4-12H,3,21H2,1-2H3.
What are the key properties of 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 326.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethoxy-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 18693345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).