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

C11H11FN2O — CID 81479051

IUPAC5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2C)c1F
InChIInChI=1S/C11H11FN2O/c1-6-4-3-5-8(9(6)12)10-7(2)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyXCGAPQSVDOXCRE-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.68
Rot. Bonds1

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

5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 81479051) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine
PubChem CID81479051
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2C)c1F
InChIInChI=1S/C11H11FN2O/c1-6-4-3-5-8(9(6)12)10-7(2)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyXCGAPQSVDOXCRE-UHFFFAOYSA-N
XLogP2.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine (CID 81479051) is 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine is Cc1cccc(-c2onc(N)c2C)c1F.
What is the InChIKey of 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is XCGAPQSVDOXCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-6-4-3-5-8(9(6)12)10-7(2)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine?
5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methylphenyl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 81479051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).