6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

C9H5FN4O2 — CID 134284130

IUPAC6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESFc1ccc2nc(Nc3nnco3)oc2c1
InChIInChI=1S/C9H5FN4O2/c10-5-1-2-6-7(3-5)16-8(12-6)13-9-14-11-4-15-9/h1-4H,(H,12,13,14)
InChIKeySZVQTWSATDRJGI-UHFFFAOYSA-N
MW220.16 g/mol
LogP2.09
Rot. Bonds2

About 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 134284130) has the molecular formula C9H5FN4O2 and a molecular weight of 220.16 g/mol. Its IUPAC name is 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID134284130
Molecular FormulaC9H5FN4O2
Molecular Weight220.16 g/mol
Exact Mass220.04
IUPAC Name6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESFc1ccc2nc(Nc3nnco3)oc2c1
InChIInChI=1S/C9H5FN4O2/c10-5-1-2-6-7(3-5)16-8(12-6)13-9-14-11-4-15-9/h1-4H,(H,12,13,14)
InChIKeySZVQTWSATDRJGI-UHFFFAOYSA-N
XLogP2.09
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-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 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (CID 134284130) is 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is Fc1ccc2nc(Nc3nnco3)oc2c1.
What is the InChIKey of 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is SZVQTWSATDRJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN4O2/c10-5-1-2-6-7(3-5)16-8(12-6)13-9-14-11-4-15-9/h1-4H,(H,12,13,14).
What are the key properties of 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 220.16 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134284130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).