3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide

C17H14FN3O2 — CID 139441276

IUPAC3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H14FN3O2/c1-19-16(22)12-4-2-3-11(9-12)15-10-20-17(23-15)21-14-7-5-13(18)6-8-14/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyYMTWEEAMIVDUJZ-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.58
Rot. Bonds4

About 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide

3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide (PubChem CID 139441276) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
PubChem CID139441276
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H14FN3O2/c1-19-16(22)12-4-2-3-11(9-12)15-10-20-17(23-15)21-14-7-5-13(18)6-8-14/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyYMTWEEAMIVDUJZ-UHFFFAOYSA-N
XLogP3.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide (CID 139441276) is 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.
What is the InChIKey of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide?
The InChIKey is YMTWEEAMIVDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-19-16(22)12-4-2-3-11(9-12)15-10-20-17(23-15)21-14-7-5-13(18)6-8-14/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide?
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide has a molecular weight of 311.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]-N-methylbenzamide is sourced from PubChem (CID 139441276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).