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

C13H13F2N3O2 — CID 84587850

IUPACN-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ncc(C)o2)c(F)cc1F
InChIInChI=1S/C13H13F2N3O2/c1-7-5-17-13(20-7)6-16-11-4-12(18-8(2)19)10(15)3-9(11)14/h3-5,16H,6H2,1-2H3,(H,18,19)
InChIKeyHQJVKYNGYKAKHC-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.83
Rot. Bonds4

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

N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide (PubChem CID 84587850) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide
PubChem CID84587850
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC NameN-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ncc(C)o2)c(F)cc1F
InChIInChI=1S/C13H13F2N3O2/c1-7-5-17-13(20-7)6-16-11-4-12(18-8(2)19)10(15)3-9(11)14/h3-5,16H,6H2,1-2H3,(H,18,19)
InChIKeyHQJVKYNGYKAKHC-UHFFFAOYSA-N
XLogP2.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide (CID 84587850) is N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(NCc2ncc(C)o2)c(F)cc1F.
What is the InChIKey of N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide?
The InChIKey is HQJVKYNGYKAKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-7-5-17-13(20-7)6-16-11-4-12(18-8(2)19)10(15)3-9(11)14/h3-5,16H,6H2,1-2H3,(H,18,19).
What are the key properties of N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide?
N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide has a molecular weight of 281.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 84587850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).