4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one

C17H11FN4O3 — CID 139441256

IUPAC4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one
SMILESO=c1[nH]onc1-c1cccc(-c2cnc(Nc3ccccc3F)o2)c1
InChIInChI=1S/C17H11FN4O3/c18-12-6-1-2-7-13(12)20-17-19-9-14(24-17)10-4-3-5-11(8-10)15-16(23)22-25-21-15/h1-9H,(H,19,20)(H,22,23)
InChIKeyGZJQXFCCJUQJQQ-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.57
Rot. Bonds4

About 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one

4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one (PubChem CID 139441256) has the molecular formula C17H11FN4O3 and a molecular weight of 338.30 g/mol. Its IUPAC name is 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one.

Molecular Properties

Compound Name4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one
PubChem CID139441256
Molecular FormulaC17H11FN4O3
Molecular Weight338.30 g/mol
Exact Mass338.08
IUPAC Name4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one
SMILESO=c1[nH]onc1-c1cccc(-c2cnc(Nc3ccccc3F)o2)c1
InChIInChI=1S/C17H11FN4O3/c18-12-6-1-2-7-13(12)20-17-19-9-14(24-17)10-4-3-5-11(8-10)15-16(23)22-25-21-15/h1-9H,(H,19,20)(H,22,23)
InChIKeyGZJQXFCCJUQJQQ-UHFFFAOYSA-N
XLogP3.57
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one 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 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one?
The IUPAC name of 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one (CID 139441256) is 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one.
What is the SMILES notation for 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one?
The canonical SMILES for 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one is O=c1[nH]onc1-c1cccc(-c2cnc(Nc3ccccc3F)o2)c1.
What is the InChIKey of 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one?
The InChIKey is GZJQXFCCJUQJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O3/c18-12-6-1-2-7-13(12)20-17-19-9-14(24-17)10-4-3-5-11(8-10)15-16(23)22-25-21-15/h1-9H,(H,19,20)(H,22,23).
What are the key properties of 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one?
4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one has a molecular weight of 338.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-1,2,5-oxadiazol-3-one is sourced from PubChem (CID 139441256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).