5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide

C13H13F2N3O2 — CID 75380557

IUPAC5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide
SMILESCCc1cnc(CNc2cc(C(N)=O)c(F)cc2F)o1
InChIInChI=1S/C13H13F2N3O2/c1-2-7-5-18-12(20-7)6-17-11-3-8(13(16)19)9(14)4-10(11)15/h3-5,17H,2,6H2,1H3,(H2,16,19)
InChIKeyUDVUQHVZBUONQZ-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.23
Rot. Bonds5

About 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide

5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide (PubChem CID 75380557) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide
PubChem CID75380557
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide
SMILESCCc1cnc(CNc2cc(C(N)=O)c(F)cc2F)o1
InChIInChI=1S/C13H13F2N3O2/c1-2-7-5-18-12(20-7)6-17-11-3-8(13(16)19)9(14)4-10(11)15/h3-5,17H,2,6H2,1H3,(H2,16,19)
InChIKeyUDVUQHVZBUONQZ-UHFFFAOYSA-N
XLogP2.23
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide (CID 75380557) is 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide is CCc1cnc(CNc2cc(C(N)=O)c(F)cc2F)o1.
What is the InChIKey of 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide?
The InChIKey is UDVUQHVZBUONQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-2-7-5-18-12(20-7)6-17-11-3-8(13(16)19)9(14)4-10(11)15/h3-5,17H,2,6H2,1H3,(H2,16,19).
What are the key properties of 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide?
5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide has a molecular weight of 281.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2,4-difluorobenzamide is sourced from PubChem (CID 75380557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).