1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine

C10H11FN2O2 — CID 23368551

IUPAC1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine
SMILESNC(CF)COc1noc2ccccc12
InChIInChI=1S/C10H11FN2O2/c11-5-7(12)6-14-10-8-3-1-2-4-9(8)15-13-10/h1-4,7H,5-6,12H2
InChIKeyUBXRWXFBELLWAK-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.50
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine

1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine (PubChem CID 23368551) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine
PubChem CID23368551
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine
SMILESNC(CF)COc1noc2ccccc12
InChIInChI=1S/C10H11FN2O2/c11-5-7(12)6-14-10-8-3-1-2-4-9(8)15-13-10/h1-4,7H,5-6,12H2
InChIKeyUBXRWXFBELLWAK-UHFFFAOYSA-N
XLogP1.50
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-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 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine?
The IUPAC name of 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine (CID 23368551) is 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine?
The canonical SMILES for 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine is NC(CF)COc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine?
The InChIKey is UBXRWXFBELLWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-5-7(12)6-14-10-8-3-1-2-4-9(8)15-13-10/h1-4,7H,5-6,12H2.
What are the key properties of 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine?
1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine has a molecular weight of 210.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yloxy)-3-fluoropropan-2-amine is sourced from PubChem (CID 23368551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).