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

C17H14FN3O2 — CID 139441299

IUPACN-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H14FN3O2/c1-11(22)20-15-4-2-3-12(9-15)16-10-19-17(23-16)21-14-7-5-13(18)6-8-14/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyCKFRNNJQZUTFMU-UHFFFAOYSA-N
MW311.32 g/mol
LogP4.18
Rot. Bonds4

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

N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide (PubChem CID 139441299) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide
PubChem CID139441299
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H14FN3O2/c1-11(22)20-15-4-2-3-12(9-15)16-10-19-17(23-16)21-14-7-5-13(18)6-8-14/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyCKFRNNJQZUTFMU-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide (CID 139441299) is N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide?
The InChIKey is CKFRNNJQZUTFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11(22)20-15-4-2-3-12(9-15)16-10-19-17(23-16)21-14-7-5-13(18)6-8-14/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide?
N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide has a molecular weight of 311.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 139441299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).