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

C16H13FN2O2 — CID 66199764

IUPAC5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccccc1-c1c(N)noc1-c1cccc(F)c1
InChIInChI=1S/C16H13FN2O2/c1-20-13-8-3-2-7-12(13)14-15(21-19-16(14)18)10-5-4-6-11(17)9-10/h2-9H,1H3,(H2,18,19)
InChIKeyJPZBUKYEUCMEAL-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.74
Rot. Bonds3

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

5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 66199764) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID66199764
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccccc1-c1c(N)noc1-c1cccc(F)c1
InChIInChI=1S/C16H13FN2O2/c1-20-13-8-3-2-7-12(13)14-15(21-19-16(14)18)10-5-4-6-11(17)9-10/h2-9H,1H3,(H2,18,19)
InChIKeyJPZBUKYEUCMEAL-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 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine (CID 66199764) is 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccccc1-c1c(N)noc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is JPZBUKYEUCMEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-20-13-8-3-2-7-12(13)14-15(21-19-16(14)18)10-5-4-6-11(17)9-10/h2-9H,1H3,(H2,18,19).
What are the key properties of 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine?
5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-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 5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).