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

C18H16FN3O2 — CID 139441297

IUPACN-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H16FN3O2/c1-12(23)20-10-13-3-2-4-14(9-13)17-11-21-18(24-17)22-16-7-5-15(19)6-8-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyJMWYFPHCMLUBBP-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.86
Rot. Bonds5

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

N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide (PubChem CID 139441297) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide
PubChem CID139441297
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H16FN3O2/c1-12(23)20-10-13-3-2-4-14(9-13)17-11-21-18(24-17)22-16-7-5-15(19)6-8-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyJMWYFPHCMLUBBP-UHFFFAOYSA-N
XLogP3.86
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.86
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]methyl]acetamide?
The IUPAC name of N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide (CID 139441297) is N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
The InChIKey is JMWYFPHCMLUBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12(23)20-10-13-3-2-4-14(9-13)17-11-21-18(24-17)22-16-7-5-15(19)6-8-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
N-[[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide has a molecular weight of 325.34 g/mol, XLogP of 3.86, 5 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]methyl]acetamide is sourced from PubChem (CID 139441297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).