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

C16H13F2N3O2S — CID 71985218

IUPACN-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NCc1ncc(-c2cccs2)o1
InChIInChI=1S/C16H13F2N3O2S/c1-9(22)21-13-6-11(18)10(17)5-12(13)19-8-16-20-7-14(23-16)15-3-2-4-24-15/h2-7,19H,8H2,1H3,(H,21,22)
InChIKeyWXZSGLAIWXCVTI-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.25
Rot. Bonds5

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

N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide (PubChem CID 71985218) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide
PubChem CID71985218
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC NameN-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NCc1ncc(-c2cccs2)o1
InChIInChI=1S/C16H13F2N3O2S/c1-9(22)21-13-6-11(18)10(17)5-12(13)19-8-16-20-7-14(23-16)15-3-2-4-24-15/h2-7,19H,8H2,1H3,(H,21,22)
InChIKeyWXZSGLAIWXCVTI-UHFFFAOYSA-N
XLogP4.25
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide (CID 71985218) is N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(F)c(F)cc1NCc1ncc(-c2cccs2)o1.
What is the InChIKey of N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide?
The InChIKey is WXZSGLAIWXCVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c1-9(22)21-13-6-11(18)10(17)5-12(13)19-8-16-20-7-14(23-16)15-3-2-4-24-15/h2-7,19H,8H2,1H3,(H,21,22).
What are the key properties of N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide?
N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide has a molecular weight of 349.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-difluoro-2-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71985218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).