3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine

C16H13FN2O2 — CID 3776332

IUPAC3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc(F)ccc2OCc2ccccc2)no1
InChIInChI=1S/C16H13FN2O2/c17-12-6-7-15(20-10-11-4-2-1-3-5-11)13(8-12)14-9-16(18)21-19-14/h1-9H,10,18H2
InChIKeyUWHSJSYOEDPPEI-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.64
Rot. Bonds4

About 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine

3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 3776332) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID3776332
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc(F)ccc2OCc2ccccc2)no1
InChIInChI=1S/C16H13FN2O2/c17-12-6-7-15(20-10-11-4-2-1-3-5-11)13(8-12)14-9-16(18)21-19-14/h1-9H,10,18H2
InChIKeyUWHSJSYOEDPPEI-UHFFFAOYSA-N
XLogP3.64
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine (CID 3776332) is 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine is Nc1cc(-c2cc(F)ccc2OCc2ccccc2)no1.
What is the InChIKey of 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is UWHSJSYOEDPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-6-7-15(20-10-11-4-2-1-3-5-11)13(8-12)14-9-16(18)21-19-14/h1-9H,10,18H2.
What are the key properties of 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 284.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3776332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).