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

C13H15FN2O — CID 113396074

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

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

5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 113396074) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID113396074
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(C)cc(F)c1
InChIInChI=1S/C13H15FN2O/c1-3-4-11-12(17-16-13(11)15)9-5-8(2)6-10(14)7-9/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyKDRSBQXUCPSPEH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine (CID 113396074) is 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cc(C)cc(F)c1.
What is the InChIKey of 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is KDRSBQXUCPSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-4-11-12(17-16-13(11)15)9-5-8(2)6-10(14)7-9/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(3-fluoro-5-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-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 113396074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).