5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine

C13H15FN2O2 — CID 79411476

IUPAC5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1c(F)cccc1OC
InChIInChI=1S/C13H15FN2O2/c1-3-5-8-12(18-16-13(8)15)11-9(14)6-4-7-10(11)17-2/h4,6-7H,3,5H2,1-2H3,(H2,15,16)
InChIKeyHYLNCGSMEMCVPD-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.02
Rot. Bonds4

About 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine

5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 79411476) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID79411476
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1c(F)cccc1OC
InChIInChI=1S/C13H15FN2O2/c1-3-5-8-12(18-16-13(8)15)11-9(14)6-4-7-10(11)17-2/h4,6-7H,3,5H2,1-2H3,(H2,15,16)
InChIKeyHYLNCGSMEMCVPD-UHFFFAOYSA-N
XLogP3.02
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine (CID 79411476) is 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1c(F)cccc1OC.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is HYLNCGSMEMCVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-5-8-12(18-16-13(8)15)11-9(14)6-4-7-10(11)17-2/h4,6-7H,3,5H2,1-2H3,(H2,15,16).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 250.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79411476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).