3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine

C16H13FN2O2 — CID 43335949

IUPAC3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccc(F)cc3)noc2N)cc1
InChIInChI=1S/C16H13FN2O2/c1-20-13-8-4-10(5-9-13)14-15(19-21-16(14)18)11-2-6-12(17)7-3-11/h2-9H,18H2,1H3
InChIKeyDYJDQPYLMDDAMU-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.74
Rot. Bonds3

About 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine

3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 43335949) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID43335949
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3ccc(F)cc3)noc2N)cc1
InChIInChI=1S/C16H13FN2O2/c1-20-13-8-4-10(5-9-13)14-15(19-21-16(14)18)11-2-6-12(17)7-3-11/h2-9H,18H2,1H3
InChIKeyDYJDQPYLMDDAMU-UHFFFAOYSA-N
XLogP3.74
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 43335949) is 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2c(-c3ccc(F)cc3)noc2N)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is DYJDQPYLMDDAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-20-13-8-4-10(5-9-13)14-15(19-21-16(14)18)11-2-6-12(17)7-3-11/h2-9H,18H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 284.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).