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

C18H16FN3O2 — CID 139441354

IUPAC3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc(N(C)c3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H16FN3O2/c1-20-17(23)13-5-3-4-12(10-13)16-11-21-18(24-16)22(2)15-8-6-14(19)7-9-15/h3-11H,1-2H3,(H,20,23)
InChIKeyRDRKJMLWNKRWJZ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.61
Rot. Bonds4

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

3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide (PubChem CID 139441354) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
PubChem CID139441354
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc(N(C)c3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H16FN3O2/c1-20-17(23)13-5-3-4-12(10-13)16-11-21-18(24-16)22(2)15-8-6-14(19)7-9-15/h3-11H,1-2H3,(H,20,23)
InChIKeyRDRKJMLWNKRWJZ-UHFFFAOYSA-N
XLogP3.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide (CID 139441354) is 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cnc(N(C)c3ccc(F)cc3)o2)c1.
What is the InChIKey of 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide?
The InChIKey is RDRKJMLWNKRWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-20-17(23)13-5-3-4-12(10-13)16-11-21-18(24-16)22(2)15-8-6-14(19)7-9-15/h3-11H,1-2H3,(H,20,23).
What are the key properties of 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide?
3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide has a molecular weight of 325.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-N-methylanilino)-1,3-oxazol-5-yl]-N-methylbenzamide is sourced from PubChem (CID 139441354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).