N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine

C10H9FN2O — CID 171996610

IUPACN-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc2nc(NC3CC3)oc2c1
InChIInChI=1S/C10H9FN2O/c11-6-1-4-8-9(5-6)14-10(13-8)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKeyAGGNUOQFOLQVKP-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.54
Rot. Bonds2

About N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine

N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine (PubChem CID 171996610) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine
PubChem CID171996610
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC NameN-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc2nc(NC3CC3)oc2c1
InChIInChI=1S/C10H9FN2O/c11-6-1-4-8-9(5-6)14-10(13-8)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKeyAGGNUOQFOLQVKP-UHFFFAOYSA-N
XLogP2.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-6-fluoro-1,3-benzoxazol-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 N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine (CID 171996610) is N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine is Fc1ccc2nc(NC3CC3)oc2c1.
What is the InChIKey of N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is AGGNUOQFOLQVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-6-1-4-8-9(5-6)14-10(13-8)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13).
What are the key properties of N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine?
N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 192.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 171996610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).