2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine

C10H11FN2O — CID 82401381

IUPAC2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc2c(F)cccc2o1
InChIInChI=1S/C10H11FN2O/c1-10(2,12)9-13-8-6(11)4-3-5-7(8)14-9/h3-5H,12H2,1-2H3
InChIKeyCJWNRWZRYKUCEY-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.16
Rot. Bonds1

About 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine

2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine (PubChem CID 82401381) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
PubChem CID82401381
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc2c(F)cccc2o1
InChIInChI=1S/C10H11FN2O/c1-10(2,12)9-13-8-6(11)4-3-5-7(8)14-9/h3-5H,12H2,1-2H3
InChIKeyCJWNRWZRYKUCEY-UHFFFAOYSA-N
XLogP2.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-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 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine?
The IUPAC name of 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine (CID 82401381) is 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine is CC(C)(N)c1nc2c(F)cccc2o1.
What is the InChIKey of 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine?
The InChIKey is CJWNRWZRYKUCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-10(2,12)9-13-8-6(11)4-3-5-7(8)14-9/h3-5H,12H2,1-2H3.
What are the key properties of 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine?
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine has a molecular weight of 194.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine is sourced from PubChem (CID 82401381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).