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

C13H15FN2O — CID 79412173

IUPAC5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(F)ccc1C
InChIInChI=1S/C13H15FN2O/c1-3-4-10-12(17-16-13(10)15)11-7-9(14)6-5-8(11)2/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyHAMCXKYZRDZFCG-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.32
Rot. Bonds3

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

5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 79412173) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID79412173
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(F)ccc1C
InChIInChI=1S/C13H15FN2O/c1-3-4-10-12(17-16-13(10)15)11-7-9(14)6-5-8(11)2/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyHAMCXKYZRDZFCG-UHFFFAOYSA-N
XLogP3.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine (CID 79412173) is 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cc(F)ccc1C.
What is the InChIKey of 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is HAMCXKYZRDZFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-4-10-12(17-16-13(10)15)11-7-9(14)6-5-8(11)2/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 234.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79412173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).